C105H128N18O10S6 — CID 158937845
N-(1-benzothiophen-5-yl)-N-[(3-methylsulfonylphenyl)methyl]piperidin-4-amine;3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzenesulfonamide;3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide;N-[3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]phenyl]methanesulfonamide;3-[[(1-methylindol-5-yl)-piperidin-4-ylamino]methyl]benzenesulfonamide (PubChem CID 158937845) has the molecular formula C105H128N18O10S6 and a molecular weight of 1994.70 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-N-[(3-methylsulfonylphenyl)methyl]piperidin-4-amine;3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzenesulfonamide;3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide;N-[3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]phenyl]methanesulfonamide;3-[[(1-methylindol-5-yl)-piperidin-4-ylamino]methyl]benzenesulfonamide.
| Compound Name | N-(1-benzothiophen-5-yl)-N-[(3-methylsulfonylphenyl)methyl]piperidin-4-amine;3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzenesulfonamide;3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide;N-[3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]phenyl]methanesulfonamide;3-[[(1-methylindol-5-yl)-piperidin-4-ylamino]methyl]benzenesulfonamide |
|---|---|
| PubChem CID | 158937845 |
| Molecular Formula | C105H128N18O10S6 |
| Molecular Weight | 1994.70 g/mol |
| Exact Mass | 1992.84 |
| IUPAC Name | N-(1-benzothiophen-5-yl)-N-[(3-methylsulfonylphenyl)methyl]piperidin-4-amine;3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzenesulfonamide;3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide;N-[3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]phenyl]methanesulfonamide;3-[[(1-methylindol-5-yl)-piperidin-4-ylamino]methyl]benzenesulfonamide |
| SMILES | CN(C)S(=O)(=O)c1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1.CS(=O)(=O)Nc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1.CS(=O)(=O)c1cccc(CN(c2ccc3sccc3c2)C2CCNCC2)c1.Cn1ccc2cc(N(Cc3cccc(S(N)(=O)=O)c3)C3CCNCC3)ccc21.NS(=O)(=O)c1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1 |
| InChI | InChI=1S/C22H28N4O2S.2C21H26N4O2S.C21H24N2O2S2.C20H24N4O2S/c1-25(2)29(27,28)21-5-3-4-17(14-21)16-26(19-9-11-23-12-10-19)20-6-7-22-18(15-20)8-13-24-22;1-28(26,27)24-18-4-2-3-16(13-18)15-25(19-8-10-22-11-9-19)20-5-6-21-17(14-20)7-12-23-21;1-24-12-9-17-14-19(5-6-21(17)24)25(18-7-10-23-11-8-18)15-16-3-2-4-20(13-16)28(22,26)27;1-27(24,25)20-4-2-3-16(13-20)15-23(18-7-10-22-11-8-18)19-5-6-21-17(14-19)9-12-26-21;21-27(25,26)19-3-1-2-15(12-19)14-24(17-7-9-22-10-8-17)18-4-5-20-16(13-18)6-11-23-20/h3-8,13-15,19,23-24H,9-12,16H2,1-2H3;2-7,12-14,19,22-24H,8-11,15H2,1H3;2-6,9,12-14,18,23H,7-8,10-11,15H2,1H3,(H2,22,26,27);2-6,9,12-14,18,22H,7-8,10-11,15H2,1H3;1-6,11-13,17,22-23H,7-10,14H2,(H2,21,25,26) |
| InChIKey | JJWIEXYAPJWELQ-UHFFFAOYSA-N |
| XLogP | 15.70 |
| TPSA | 366.66 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 139 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1994.70 |
| LogP ≤ 5 | 15.70 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 22 |