4-[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]piperazin-1-yl]benzonitrile;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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide

C135H175N27O12S4 — CID 157358150

About 4-[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]piperazin-1-yl]benzonitrile;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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide

4-[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]piperazin-1-yl]benzonitrile;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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide (PubChem CID 157358150) has the molecular formula C135H175N27O12S4 and a molecular weight of 2496.33 g/mol. Its IUPAC name is 4-[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]piperazin-1-yl]benzonitrile;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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide.

Molecular Properties

• Compound Name: 4-[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]piperazin-1-yl]benzonitrile;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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide
• PubChem CID: 157358150
• Molecular Formula: C135H175N27O12S4
• Molecular Weight: 2496.33 g/mol
• Exact Mass: 2494.28
• IUPAC Name: 4-[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]piperazin-1-yl]benzonitrile;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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide
• SMILES: CN(C)CCc1c[nH]c2ccc(CC3COC(=O)N3)cc12.CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.CN1CCC(c2c[nH]c3ccc(CCS(N)(=O)=O)cc23)CC1.CN1CCCC1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12.CNC1CCc2[nH]c3ccc(C(N)=O)cc3c2C1.CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1.N#Cc1ccc(N2CCN(Oc3ccc4[nH]cc(CCN)c4c3)CC2)cc1
• InChI: InChI=1S/C22H26N2O2S.C21H23N5O.C17H25N3O2S.C16H23N3O2S.C16H21N3O2.C15H19N5.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;22-8-7-17-15-24-21-6-5-19(13-20(17)21)27-26-11-9-25(10-12-26)18-3-1-16(14-23)2-4-18;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;1-19-7-4-13(5-8-19)15-11-18-16-3-2-12(10-14(15)16)6-9-22(17,20)21;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/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3;1-6,13,15,24H,7-12,22H2;5-6,11-12,18H,3-4,7-10,13H2,1-2H3;2-3,10-11,13,18H,4-9H2,1H3,(H2,17,20,21);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)
• InChIKey: BIIDZRKDXYTVMN-UHFFFAOYSA-N
• XLogP: 16.98
• TPSA: 513.29 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 26
• Rotatable Bonds: 39
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2496.33
LogP ≤ 5	16.98
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]piperazin-1-yl]benzonitrile;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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide?

The IUPAC name of 4-[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]piperazin-1-yl]benzonitrile;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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide (CID 157358150) is 4-[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]piperazin-1-yl]benzonitrile;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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide.

What is the SMILES notation for 4-[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]piperazin-1-yl]benzonitrile;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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide?

The canonical SMILES for 4-[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]piperazin-1-yl]benzonitrile;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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide is CN(C)CCc1c[nH]c2ccc(CC3COC(=O)N3)cc12.CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.CN1CCC(c2c[nH]c3ccc(CCS(N)(=O)=O)cc23)CC1.CN1CCCC1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12.CNC1CCc2[nH]c3ccc(C(N)=O)cc3c2C1.CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1.N#Cc1ccc(N2CCN(Oc3ccc4[nH]cc(CCN)c4c3)CC2)cc1.

What is the InChIKey of 4-[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]piperazin-1-yl]benzonitrile;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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide?

The InChIKey is BIIDZRKDXYTVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S.C21H23N5O.C17H25N3O2S.C16H23N3O2S.C16H21N3O2.C15H19N5.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;22-8-7-17-15-24-21-6-5-19(13-20(17)21)27-26-11-9-25(10-12-26)18-3-1-16(14-23)2-4-18;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;1-19-7-4-13(5-8-19)15-11-18-16-3-2-12(10-14(15)16)6-9-22(17,20)21;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/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3;1-6,13,15,24H,7-12,22H2;5-6,11-12,18H,3-4,7-10,13H2,1-2H3;2-3,10-11,13,18H,4-9H2,1H3,(H2,17,20,21);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).

What are the key properties of 4-[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]piperazin-1-yl]benzonitrile;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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide?

4-[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]piperazin-1-yl]benzonitrile;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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide has a molecular weight of 2496.33 g/mol, XLogP of 16.98, 39 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]piperazin-1-yl]benzonitrile;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-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide is sourced from PubChem (CID 157358150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).