C136H208N16O6S3 — CID 161299102
2-tert-butyl-N,N-dimethyl-6-piperazin-1-ylbenzenesulfonamide;2-tert-butyl-4-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-[(1-methylazetidin-3-yl)methyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-1-methyl-4-phenylimidazole;5-(3-tert-butylphenyl)-1-methylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-2-methylpiperidine;2-(2-tert-butylphenyl)piperidine (PubChem CID 161299102) has the molecular formula C136H208N16O6S3 and a molecular weight of 2259.47 g/mol. Its IUPAC name is 2-tert-butyl-N,N-dimethyl-6-piperazin-1-ylbenzenesulfonamide;2-tert-butyl-4-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-[(1-methylazetidin-3-yl)methyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-1-methyl-4-phenylimidazole;5-(3-tert-butylphenyl)-1-methylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-2-methylpiperidine;2-(2-tert-butylphenyl)piperidine.
| Compound Name | 2-tert-butyl-N,N-dimethyl-6-piperazin-1-ylbenzenesulfonamide;2-tert-butyl-4-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-[(1-methylazetidin-3-yl)methyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-1-methyl-4-phenylimidazole;5-(3-tert-butylphenyl)-1-methylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-2-methylpiperidine;2-(2-tert-butylphenyl)piperidine |
|---|---|
| PubChem CID | 161299102 |
| Molecular Formula | C136H208N16O6S3 |
| Molecular Weight | 2259.47 g/mol |
| Exact Mass | 2257.56 |
| IUPAC Name | 2-tert-butyl-N,N-dimethyl-6-piperazin-1-ylbenzenesulfonamide;2-tert-butyl-4-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-[(1-methylazetidin-3-yl)methyl]benzenesulfonamide;2-tert-butyl-N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide;2-tert-butyl-1-methyl-4-phenylimidazole;5-(3-tert-butylphenyl)-1-methylimidazole;2-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-2-methylpiperidine;2-(2-tert-butylphenyl)piperidine |
| SMILES | CC(C)(C)c1ccccc1C1CCCCN1.CC(C)N(C)CCN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CC1NCCCC1c1ccccc1C(C)(C)C.CN(C)S(=O)(=O)c1c(N2CCNCC2)cccc1C(C)(C)C.CN1CC(CN(C)S(=O)(=O)c2ccccc2C(C)(C)C)C1.CN1CCCCC1c1ccccc1C(C)(C)C.Cc1cccc2[nH]c(C(C)(C)C)nc12.Cn1cc(-c2ccccc2)nc1C(C)(C)C.Cn1cncc1-c1cccc(C(C)(C)C)c1 |
| InChI | InChI=1S/C17H30N2O2S.C16H27N3O2S.C16H26N2O2S.2C16H25N.C15H23N.2C14H18N2.C12H16N2/c1-14(2)18(6)12-13-19(7)22(20,21)16-11-9-8-10-15(16)17(3,4)5;1-16(2,3)13-7-6-8-14(19-11-9-17-10-12-19)15(13)22(20,21)18(4)5;1-16(2,3)14-8-6-7-9-15(14)21(19,20)18(5)12-13-10-17(4)11-13;1-16(2,3)14-10-6-5-9-13(14)15-11-7-8-12-17(15)4;1-12-13(9-7-11-17-12)14-8-5-6-10-15(14)16(2,3)4;1-15(2,3)13-9-5-4-8-12(13)14-10-6-7-11-16-14;1-14(2,3)12-7-5-6-11(8-12)13-9-15-10-16(13)4;1-14(2,3)13-15-12(10-16(13)4)11-8-6-5-7-9-11;1-8-6-5-7-9-10(8)14-11(13-9)12(2,3)4/h8-11,14H,12-13H2,1-7H3;6-8,17H,9-12H2,1-5H3;6-9,13H,10-12H2,1-5H3;5-6,9-10,15H,7-8,11-12H2,1-4H3;5-6,8,10,12-13,17H,7,9,11H2,1-4H3;4-5,8-9,14,16H,6-7,10-11H2,1-3H3;2*5-10H,1-4H3;5-7H,1-4H3,(H,13,14) |
| InChIKey | VHJDWBBFBWQRAS-UHFFFAOYSA-N |
| XLogP | 28.47 |
| TPSA | 225.51 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 161 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2259.47 |
| LogP ≤ 5 | 28.47 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 18 |