C207H342N14O13S5 — CID 158551192
1-tert-butyl-2-cyclohexylbenzene;1-tert-butyl-2-cyclohexylsulfonylbenzene;2-tert-butyl-N,N-dimethylaniline;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)methanesulfonamide;1-(2-tert-butylphenyl)-4-methylpiperazine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;4-(2-tert-butylphenyl)morpholine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;1-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;5-(2-tert-butylphenyl)-2H-pyrrole;methane (PubChem CID 158551192) has the molecular formula C207H342N14O13S5 and a molecular weight of 3395.43 g/mol. Its IUPAC name is 1-tert-butyl-2-cyclohexylbenzene;1-tert-butyl-2-cyclohexylsulfonylbenzene;2-tert-butyl-N,N-dimethylaniline;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)methanesulfonamide;1-(2-tert-butylphenyl)-4-methylpiperazine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;4-(2-tert-butylphenyl)morpholine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;1-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;5-(2-tert-butylphenyl)-2H-pyrrole;methane.
| Compound Name | 1-tert-butyl-2-cyclohexylbenzene;1-tert-butyl-2-cyclohexylsulfonylbenzene;2-tert-butyl-N,N-dimethylaniline;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)methanesulfonamide;1-(2-tert-butylphenyl)-4-methylpiperazine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;4-(2-tert-butylphenyl)morpholine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;1-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;5-(2-tert-butylphenyl)-2H-pyrrole;methane |
|---|---|
| PubChem CID | 158551192 |
| Molecular Formula | C207H342N14O13S5 |
| Molecular Weight | 3395.43 g/mol |
| Exact Mass | 3392.51 |
| IUPAC Name | 1-tert-butyl-2-cyclohexylbenzene;1-tert-butyl-2-cyclohexylsulfonylbenzene;2-tert-butyl-N,N-dimethylaniline;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)methanesulfonamide;1-(2-tert-butylphenyl)-4-methylpiperazine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;4-(2-tert-butylphenyl)morpholine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;1-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;5-(2-tert-butylphenyl)-2H-pyrrole;methane |
| SMILES | C.C.C.C.C.C.C.C.C.C.C.CC(=O)N1CCN(c2ccccc2C(C)(C)C)CC1.CC(C)(C)c1ccc(NS(C)(=O)=O)cc1.CC(C)(C)c1cccc(S(C)(=O)=O)c1.CC(C)(C)c1ccccc1C1=NCC=C1.CC(C)(C)c1ccccc1C1CCCCC1.CC(C)(C)c1ccccc1C1CCNCC1.CC(C)(C)c1ccccc1N1CCCCC1.CC(C)(C)c1ccccc1N1CCN(S(C)(=O)=O)CC1.CC(C)(C)c1ccccc1N1CCOCC1.CC(C)(C)c1ccccc1S(=O)(=O)C1CCCCC1.CN(C)CCOc1ccccc1C(C)(C)C.CN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CN(C)c1ccccc1C(C)(C)C.CN1CCN(c2ccccc2C(C)(C)C)CC1 |
| InChI | InChI=1S/C16H24N2O.C16H24O2S.C16H24.C15H24N2O2S.C15H24N2.2C15H23N.C14H21NO.C14H23NO.C14H17N.C12H19NO2S.C12H19N.C11H17NO2S.C11H16O2S.11CH4/c1-13(19)17-9-11-18(12-10-17)15-8-6-5-7-14(15)16(2,3)4;1-16(2,3)14-11-7-8-12-15(14)19(17,18)13-9-5-4-6-10-13;1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;1-15(2,3)13-7-5-6-8-14(13)16-9-11-17(12-10-16)20(4,18)19;1-15(2,3)13-7-5-6-8-14(13)17-11-9-16(4)10-12-17;1-15(2,3)13-9-5-6-10-14(13)16-11-7-4-8-12-16;1-15(2,3)14-7-5-4-6-13(14)12-8-10-16-11-9-12;1-14(2,3)12-6-4-5-7-13(12)15-8-10-16-11-9-15;1-14(2,3)12-8-6-7-9-13(12)16-11-10-15(4)5;1-14(2,3)12-8-5-4-7-11(12)13-9-6-10-15-13;1-12(2,3)10-8-6-7-9-11(10)16(14,15)13(4)5;1-12(2,3)10-8-6-7-9-11(10)13(4)5;1-11(2,3)9-5-7-10(8-6-9)12-15(4,13)14;1-11(2,3)9-6-5-7-10(8-9)14(4,12)13;;;;;;;;;;;/h5-8H,9-12H2,1-4H3;7-8,11-13H,4-6,9-10H2,1-3H3;7-8,11-13H,4-6,9-10H2,1-3H3;5-8H,9-12H2,1-4H3;5-8H,9-12H2,1-4H3;5-6,9-10H,4,7-8,11-12H2,1-3H3;4-7,12,16H,8-11H2,1-3H3;4-7H,8-11H2,1-3H3;6-9H,10-11H2,1-5H3;4-9H,10H2,1-3H3;6-9H,1-5H3;6-9H,1-5H3;5-8,12H,1-4H3;5-8H,1-4H3;11*1H4 |
| InChIKey | HPSYIBCLDRZMBH-UHFFFAOYSA-N |
| XLogP | 50.12 |
| TPSA | 278.29 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 239 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3395.43 |
| LogP ≤ 5 | 50.12 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 23 |