5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;(4R)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]oxolan-2-one;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;2-[5-(ethylsulfonylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine;5-(ethylsulfonylmethyl)-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;(6R)-6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide

C123H162N22O12S4 — CID 158564097

About 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;(4R)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]oxolan-2-one;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;2-[5-(ethylsulfonylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine;5-(ethylsulfonylmethyl)-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;(6R)-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-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;(4R)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]oxolan-2-one;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;2-[5-(ethylsulfonylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine;5-(ethylsulfonylmethyl)-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;(6R)-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 158564097) has the molecular formula C123H162N22O12S4 and a molecular weight of 2269.06 g/mol. Its IUPAC name is 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;(4R)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]oxolan-2-one;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;2-[5-(ethylsulfonylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine;5-(ethylsulfonylmethyl)-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;(6R)-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 Name: 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;(4R)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]oxolan-2-one;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;2-[5-(ethylsulfonylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine;5-(ethylsulfonylmethyl)-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;(6R)-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: 158564097
• Molecular Formula: C123H162N22O12S4
• Molecular Weight: 2269.06 g/mol
• Exact Mass: 2267.16
• IUPAC Name: 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;(4R)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]oxolan-2-one;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;2-[5-(ethylsulfonylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine;5-(ethylsulfonylmethyl)-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;(6R)-6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide
• SMILES: CCS(=O)(=O)Cc1ccc2[nH]cc(CCCN3CCN(c4ncncc4OC)CC3)c2c1.CCS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1.CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)C3)cc12.CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12.CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1
• InChI: InChI=1S/C23H31N5O3S.C22H26N2O2S.C17H25N3O2S.C17H22N2O2.C15H19N5.C15H22N2O2S.C14H17N3O/c1-3-32(29,30)16-18-6-7-21-20(13-18)19(14-25-21)5-4-8-27-9-11-28(12-10-27)23-22(31-2)15-24-17-26-23;1-24-12-5-6-19(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)6-5-14-10-18-16-4-3-12(8-15(14)16)7-13-9-17(20)21-11-13;1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20;1-4-20(18,19)11-12-5-6-15-14(9-12)13(10-16-15)7-8-17(2)3;1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h6-7,13-15,17,25H,3-5,8-12,16H2,1-2H3;2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3;3-4,11-12,14,18-19H,5-10H2,1-2H3;3-4,8,10,13,18H,5-7,9,11H2,1-2H3;3-4,7-8,10-11,17H,5-6,9H2,1-2H3;5-6,9-10,16H,4,7-8,11H2,1-3H3;2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t;19-;;13-;;;9-/m.1.1..1/s1
• InChIKey: HRGHQUHXNMOYMH-PPASPVDHSA-N
• XLogP: 16.39
• TPSA: 428.94 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 38
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2269.06
LogP ≤ 5	16.39
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;(4R)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]oxolan-2-one;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;2-[5-(ethylsulfonylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine;5-(ethylsulfonylmethyl)-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;(6R)-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-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;(4R)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]oxolan-2-one;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;2-[5-(ethylsulfonylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine;5-(ethylsulfonylmethyl)-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;(6R)-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 158564097) is 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;(4R)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]oxolan-2-one;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;2-[5-(ethylsulfonylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine;5-(ethylsulfonylmethyl)-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;(6R)-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-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;(4R)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]oxolan-2-one;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;2-[5-(ethylsulfonylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine;5-(ethylsulfonylmethyl)-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;(6R)-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-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;(4R)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]oxolan-2-one;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;2-[5-(ethylsulfonylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine;5-(ethylsulfonylmethyl)-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;(6R)-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 CCS(=O)(=O)Cc1ccc2[nH]cc(CCCN3CCN(c4ncncc4OC)CC3)c2c1.CCS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1.CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)C3)cc12.CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12.CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1.

What is the InChIKey of 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;(4R)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]oxolan-2-one;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;2-[5-(ethylsulfonylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine;5-(ethylsulfonylmethyl)-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;(6R)-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 HRGHQUHXNMOYMH-PPASPVDHSA-N. The full InChI is InChI=1S/C23H31N5O3S.C22H26N2O2S.C17H25N3O2S.C17H22N2O2.C15H19N5.C15H22N2O2S.C14H17N3O/c1-3-32(29,30)16-18-6-7-21-20(13-18)19(14-25-21)5-4-8-27-9-11-28(12-10-27)23-22(31-2)15-24-17-26-23;1-24-12-5-6-19(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)6-5-14-10-18-16-4-3-12(8-15(14)16)7-13-9-17(20)21-11-13;1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20;1-4-20(18,19)11-12-5-6-15-14(9-12)13(10-16-15)7-8-17(2)3;1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h6-7,13-15,17,25H,3-5,8-12,16H2,1-2H3;2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3;3-4,11-12,14,18-19H,5-10H2,1-2H3;3-4,8,10,13,18H,5-7,9,11H2,1-2H3;3-4,7-8,10-11,17H,5-6,9H2,1-2H3;5-6,9-10,16H,4,7-8,11H2,1-3H3;2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t;19-;;13-;;;9-/m.1.1..1/s1.

What are the key properties of 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;(4R)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]oxolan-2-one;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;2-[5-(ethylsulfonylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine;5-(ethylsulfonylmethyl)-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;(6R)-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-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;(4R)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]oxolan-2-one;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;2-[5-(ethylsulfonylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine;5-(ethylsulfonylmethyl)-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;(6R)-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 2269.06 g/mol, XLogP of 16.39, 38 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;(4R)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]oxolan-2-one;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;2-[5-(ethylsulfonylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine;5-(ethylsulfonylmethyl)-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;(6R)-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 158564097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).