5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;N,N-dimethyl-2-[6-(1,2,4-triazol-1-yl)-3H-inden-1-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide

C115H153N21O11S4 — CID 159804862

IUPAC5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;N,N-dimethyl-2-[6-(1,2,4-triazol-1-yl)-3H-inden-1-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide
SMILESCN(C)CCC1=CCc2ccc(-n3cncn3)cc21.CN(C)CCc1c[nH]c2ccc(CC3COC(=O)N3)cc12.CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.CN1CCCC1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12.CNC1CCc2[nH]c3ccc(C(N)=O)cc3c2C1.CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C22H26N2O2S.2C17H25N3O2S.C16H21N3O2.C15H18N4.C14H21N3O2S.C14H17N3O/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20;1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14;1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20;1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13;1-18(2)8-7-13-4-3-12-5-6-14(9-15(12)13)19-11-16-10-17-19;1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3;1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3;3-4,11-12,14,18-19H,5-10H2,1-2H3;5-6,11-12,18H,3-4,7-10,13H2,1-2H3;3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20);4-6,9-11H,3,7-8H2,1-2H3;4-5,8-9,15-16H,6-7,10H2,1-3H3;2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)
InChIKeyNKGKOMKTJKHOAW-UHFFFAOYSA-N
MW2133.89 g/mol
LogP14.83
Rot. Bonds34

About 5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;N,N-dimethyl-2-[6-(1,2,4-triazol-1-yl)-3H-inden-1-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide

5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;N,N-dimethyl-2-[6-(1,2,4-triazol-1-yl)-3H-inden-1-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide (PubChem CID 159804862) has the molecular formula C115H153N21O11S4 and a molecular weight of 2133.89 g/mol. Its IUPAC name is 5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;N,N-dimethyl-2-[6-(1,2,4-triazol-1-yl)-3H-inden-1-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide.

Molecular Properties

Compound Name5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;N,N-dimethyl-2-[6-(1,2,4-triazol-1-yl)-3H-inden-1-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide
PubChem CID159804862
Molecular FormulaC115H153N21O11S4
Molecular Weight2133.89 g/mol
Exact Mass2132.09
IUPAC Name5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;N,N-dimethyl-2-[6-(1,2,4-triazol-1-yl)-3H-inden-1-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide
SMILESCN(C)CCC1=CCc2ccc(-n3cncn3)cc21.CN(C)CCc1c[nH]c2ccc(CC3COC(=O)N3)cc12.CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.CN1CCCC1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12.CNC1CCc2[nH]c3ccc(C(N)=O)cc3c2C1.CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C22H26N2O2S.2C17H25N3O2S.C16H21N3O2.C15H18N4.C14H21N3O2S.C14H17N3O/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20;1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14;1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20;1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13;1-18(2)8-7-13-4-3-12-5-6-14(9-15(12)13)19-11-16-10-17-19;1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3;1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3;3-4,11-12,14,18-19H,5-10H2,1-2H3;5-6,11-12,18H,3-4,7-10,13H2,1-2H3;3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20);4-6,9-11H,3,7-8H2,1-2H3;4-5,8-9,15-16H,6-7,10H2,1-3H3;2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)
InChIKeyNKGKOMKTJKHOAW-UHFFFAOYSA-N
XLogP14.83
TPSA402.20 Ų
H-Bond Donors11
H-Bond Acceptors21
Rotatable Bonds34
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002133.89
LogP ≤ 514.83
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;N,N-dimethyl-2-[6-(1,2,4-triazol-1-yl)-3H-inden-1-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;N,N-dimethyl-2-[6-(1,2,4-triazol-1-yl)-3H-inden-1-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide?
The IUPAC name of 5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;N,N-dimethyl-2-[6-(1,2,4-triazol-1-yl)-3H-inden-1-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide (CID 159804862) is 5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;N,N-dimethyl-2-[6-(1,2,4-triazol-1-yl)-3H-inden-1-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide.
What is the SMILES notation for 5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;N,N-dimethyl-2-[6-(1,2,4-triazol-1-yl)-3H-inden-1-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide?
The canonical SMILES for 5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;N,N-dimethyl-2-[6-(1,2,4-triazol-1-yl)-3H-inden-1-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide is CN(C)CCC1=CCc2ccc(-n3cncn3)cc21.CN(C)CCc1c[nH]c2ccc(CC3COC(=O)N3)cc12.CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.CN1CCCC1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12.CNC1CCc2[nH]c3ccc(C(N)=O)cc3c2C1.CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1.
What is the InChIKey of 5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;N,N-dimethyl-2-[6-(1,2,4-triazol-1-yl)-3H-inden-1-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide?
The InChIKey is NKGKOMKTJKHOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S.2C17H25N3O2S.C16H21N3O2.C15H18N4.C14H21N3O2S.C14H17N3O/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20;1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14;1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20;1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13;1-18(2)8-7-13-4-3-12-5-6-14(9-15(12)13)19-11-16-10-17-19;1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3;1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3;3-4,11-12,14,18-19H,5-10H2,1-2H3;5-6,11-12,18H,3-4,7-10,13H2,1-2H3;3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20);4-6,9-11H,3,7-8H2,1-2H3;4-5,8-9,15-16H,6-7,10H2,1-3H3;2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18).
What are the key properties of 5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;N,N-dimethyl-2-[6-(1,2,4-triazol-1-yl)-3H-inden-1-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide?
5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;N,N-dimethyl-2-[6-(1,2,4-triazol-1-yl)-3H-inden-1-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide has a molecular weight of 2133.89 g/mol, XLogP of 14.83, 34 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;N,N-dimethyl-2-[6-(1,2,4-triazol-1-yl)-3H-inden-1-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide is sourced from PubChem (CID 159804862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).