1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;(4S)-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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(4-methylcyclohexyl)-1H-indol-5-yl]ethanesulfonamide

C94H129N19O9S3 — CID 159939711

IUPAC1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;(4S)-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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(4-methylcyclohexyl)-1H-indol-5-yl]ethanesulfonamide
SMILESCN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12.CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.CNC1CCc2[nH]c3ccc(C(N)=O)cc3c2C1.CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCC(C)CC3)c2c1.CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C18H26N2O2S.C17H25N3O2S.C16H21N3O2.C15H19N5.C14H21N3O2S.C14H17N3O/c1-13-3-6-15(7-4-13)17-12-20-18-8-5-14(11-16(17)18)9-10-23(21,22)19-2;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;1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20;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/h5,8,11-13,15,19-20H,3-4,6-7,9-10H2,1-2H3;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);3-4,7-8,10-11,17H,5-6,9H2,1-2H3;4-5,8-9,15-16H,6-7,10H2,1-3H3;2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t;;13-;;;/m..0.../s1
InChIKeyOASGQXLUFJUALV-MXBVFJNMSA-N
MW1765.39 g/mol
LogP12.25
Rot. Bonds29

About 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;(4S)-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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(4-methylcyclohexyl)-1H-indol-5-yl]ethanesulfonamide

1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;(4S)-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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(4-methylcyclohexyl)-1H-indol-5-yl]ethanesulfonamide (PubChem CID 159939711) has the molecular formula C94H129N19O9S3 and a molecular weight of 1765.39 g/mol. Its IUPAC name is 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;(4S)-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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(4-methylcyclohexyl)-1H-indol-5-yl]ethanesulfonamide.

Molecular Properties

Compound Name1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;(4S)-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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(4-methylcyclohexyl)-1H-indol-5-yl]ethanesulfonamide
PubChem CID159939711
Molecular FormulaC94H129N19O9S3
Molecular Weight1765.39 g/mol
Exact Mass1763.94
IUPAC Name1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;(4S)-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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(4-methylcyclohexyl)-1H-indol-5-yl]ethanesulfonamide
SMILESCN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12.CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.CNC1CCc2[nH]c3ccc(C(N)=O)cc3c2C1.CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCC(C)CC3)c2c1.CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C18H26N2O2S.C17H25N3O2S.C16H21N3O2.C15H19N5.C14H21N3O2S.C14H17N3O/c1-13-3-6-15(7-4-13)17-12-20-18-8-5-14(11-16(17)18)9-10-23(21,22)19-2;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;1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20;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/h5,8,11-13,15,19-20H,3-4,6-7,9-10H2,1-2H3;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);3-4,7-8,10-11,17H,5-6,9H2,1-2H3;4-5,8-9,15-16H,6-7,10H2,1-3H3;2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t;;13-;;;/m..0.../s1
InChIKeyOASGQXLUFJUALV-MXBVFJNMSA-N
XLogP12.25
TPSA361.58 Ų
H-Bond Donors11
H-Bond Acceptors17
Rotatable Bonds29
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001765.39
LogP ≤ 512.25
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;(4S)-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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(4-methylcyclohexyl)-1H-indol-5-yl]ethanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;(4S)-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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(4-methylcyclohexyl)-1H-indol-5-yl]ethanesulfonamide?
The IUPAC name of 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;(4S)-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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(4-methylcyclohexyl)-1H-indol-5-yl]ethanesulfonamide (CID 159939711) is 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;(4S)-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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(4-methylcyclohexyl)-1H-indol-5-yl]ethanesulfonamide.
What is the SMILES notation for 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;(4S)-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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(4-methylcyclohexyl)-1H-indol-5-yl]ethanesulfonamide?
The canonical SMILES for 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;(4S)-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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(4-methylcyclohexyl)-1H-indol-5-yl]ethanesulfonamide is CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12.CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.CNC1CCc2[nH]c3ccc(C(N)=O)cc3c2C1.CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCC(C)CC3)c2c1.CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1.
What is the InChIKey of 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;(4S)-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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(4-methylcyclohexyl)-1H-indol-5-yl]ethanesulfonamide?
The InChIKey is OASGQXLUFJUALV-MXBVFJNMSA-N. The full InChI is InChI=1S/C18H26N2O2S.C17H25N3O2S.C16H21N3O2.C15H19N5.C14H21N3O2S.C14H17N3O/c1-13-3-6-15(7-4-13)17-12-20-18-8-5-14(11-16(17)18)9-10-23(21,22)19-2;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;1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20;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/h5,8,11-13,15,19-20H,3-4,6-7,9-10H2,1-2H3;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);3-4,7-8,10-11,17H,5-6,9H2,1-2H3;4-5,8-9,15-16H,6-7,10H2,1-3H3;2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t;;13-;;;/m..0.../s1.
What are the key properties of 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;(4S)-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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(4-methylcyclohexyl)-1H-indol-5-yl]ethanesulfonamide?
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;(4S)-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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(4-methylcyclohexyl)-1H-indol-5-yl]ethanesulfonamide has a molecular weight of 1765.39 g/mol, XLogP of 12.25, 29 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;(4S)-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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(4-methylcyclohexyl)-1H-indol-5-yl]ethanesulfonamide is sourced from PubChem (CID 159939711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).