C133H195N15O14S7 — CID 160869525
N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;methane;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;bis(1-piperidin-1-ylsulfonyl-3-propan-2-ylindole) (PubChem CID 160869525) has the molecular formula C133H195N15O14S7 and a molecular weight of 2452.58 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;methane;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;bis(1-piperidin-1-ylsulfonyl-3-propan-2-ylindole).
| Compound Name | N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;methane;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;bis(1-piperidin-1-ylsulfonyl-3-propan-2-ylindole) |
|---|---|
| PubChem CID | 160869525 |
| Molecular Formula | C133H195N15O14S7 |
| Molecular Weight | 2452.58 g/mol |
| Exact Mass | 2450.31 |
| IUPAC Name | N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;methane;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;bis(1-piperidin-1-ylsulfonyl-3-propan-2-ylindole) |
| SMILES | C.CC(C)c1ccc(N2CCCCC2)c(C(C)(C)C)c1.CC(C)c1cn(S(=O)(=O)N(C)C(C)(C)C)c2ccccc12.CC(C)c1cn(S(=O)(=O)N2CCCCC2)c2ccccc12.CC(C)c1cn(S(=O)(=O)N2CCCCC2)c2ccccc12.CC(C)c1cn(S(=O)(=O)NC(C)(C)C)c2ccccc12.CC(C)c1cn(S(=O)(=O)NC2CCCCC2)c2ccccc12.Cc1c(C(C)C)c2ccccc2n1S(=O)(=O)N1CCCCC1.Cc1ccc2c(C(C)C)cn(S(=O)(=O)N3CCCCC3)c2c1 |
| InChI | InChI=1S/C18H29N.3C17H24N2O2S.2C16H22N2O2S.C16H24N2O2S.C15H22N2O2S.CH4/c1-14(2)15-9-10-17(16(13-15)18(3,4)5)19-11-7-6-8-12-19;1-13(2)17-14(3)19(16-10-6-5-9-15(16)17)22(20,21)18-11-7-4-8-12-18;1-13(2)16-12-19(17-11-14(3)7-8-15(16)17)22(20,21)18-9-5-4-6-10-18;1-13(2)16-12-19(17-11-7-6-10-15(16)17)22(20,21)18-14-8-4-3-5-9-14;2*1-13(2)15-12-18(16-9-5-4-8-14(15)16)21(19,20)17-10-6-3-7-11-17;1-12(2)14-11-18(15-10-8-7-9-13(14)15)21(19,20)17(6)16(3,4)5;1-11(2)13-10-17(14-9-7-6-8-12(13)14)20(18,19)16-15(3,4)5;/h9-10,13-14H,6-8,11-12H2,1-5H3;5-6,9-10,13H,4,7-8,11-12H2,1-3H3;7-8,11-13H,4-6,9-10H2,1-3H3;6-7,10-14,18H,3-5,8-9H2,1-2H3;2*4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3;7-12H,1-6H3;6-11,16H,1-5H3;1H4 |
| InChIKey | SLOPCDDDBZIAOS-UHFFFAOYSA-N |
| XLogP | 30.34 |
| TPSA | 316.99 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 169 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2452.58 |
| LogP ≤ 5 | 30.34 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 22 |