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4-(Methanesulfonyl)-3-(pyrrolidin-1-yl)aniline | C11H16N2O2S - Chemryt

Chemical : 4-(Methanesulfonyl)-3-(pyrrolidin-1-yl)aniline

Casrn : 1000018-40-5

MolName : 4-(Methanesulfonyl)-3-(pyrrolidin-1-yl)aniline

MolecularFormula : C11H16N2O2S

Smiles : CS(c(ccc(N)c1)c1N1CCCC1)(=O)=O

InChI : InChI=1S/C11H16N2O2S/c1-16(14,15)11-5-4-9(12)8-10(11)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3

InChIK : AMMYEUZBQIIWPL-UHFFFAOYSA-N

CanonicalSyTyLFy : 2a00d7585e5a4d19

TotalMolweight : 240.326

Molweight : 240.326

MonoisotopicMass : 240.093248

CLogP : 0.4753

CLogS : -2.831

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 174.46

Relative PSA : 0.2717

PolarSurfaceArea : 71.78

Druglikeness : 1.4856

Mutagenic : low

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Shape Index : 0.4375

Molecula Flexibility : 0.39684

Molecular Complexity : 0.74106

Fragments : 1

Non HAtoms : 16

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 2

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 7

Symmetricatoms : 3

Amines : 2

Aromatic Amines : 2

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275
100-75-4highhighhighC5H10N2O114.147-0.86877
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575
1000339-30-9nonenonenoneC8H10N3Cl183.6412.1
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
1000339-33-2nonenonenoneC10H11NClF199.6550.76
100-96-9highnonenoneC7H10N2O138.169-1.7412
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
10001-51-1nonenonenoneC9H18N2O170.2555.9677
100031-88-7nonenonehighC10H30O3Si4310.689-53.619
1000284-35-4nonenonehighC16H24O4280.363-11.936
10000-42-7highhighlowC20H18N4O3362.388-5.7793
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136
100004-95-3nonenonenoneC13H11NO3229.234-1.3547
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856
10001-46-4nonenonenoneC9H11N3O3209.2041.9565
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
100010-00-2nonenonenoneC20H23NO5357.405-3.7157
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
100003-81-4highhighnoneC8H7N2OClS214.6761.4208
100-26-5nonenonenoneC7H5NO4167.12-1.5746
100-39-0highhighnoneC7H7Br171.037-7.8241
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866
100-02-7nonenonenoneC6H5NO3139.11-7.5665
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
100-55-0nonenonenoneC6H7NO109.128-1.9045
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213
1000198-80-0nonenonenoneC11H14NF179.237-0.04876
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
1000-86-8nonenonenoneC7H1296.1723-10.397
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
100005-79-6nonenonenoneC12H9NS199.276-2.6106
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6
100-91-4nonenonehighC17H25NO3291.393.3475
100019-40-7nonenonenoneC14H15NO3245.277-1.947
100-64-1highhighnoneC6H11NO113.159-6.4182
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821
100004-78-2nonenonenoneC16H11NO2249.268-1.5746
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689
1000339-13-8lownonelowC7H10NO4ClS239.678-21.883
1000339-27-4nonenonenoneC14H8N3O3Br346.14-5.8142
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
100-68-5nonenonenoneC7H8S124.207-1.735
100020-95-9highnonelowC12H17OCl212.719-11.962
1000068-23-4nonelownoneC14H18NO5B291.11-44.603
100-07-2highhighlowC8H7O2Cl170.595-10.49
100007-54-3nonenonenoneC28H30O13574.533-1.9839
100012-67-7highhighhighC12H12O5236.222-19.846
1000269-67-9nonenonenoneC13H22N4234.3460.99367
1000-77-7highhighnoneHCl.C6H15NO6S2261.3181.5333
100012-49-5nonenonenoneC10H2O4Br4505.738-8.4981