C113H165FN12O11S5 — CID 159884717
N,N-dimethyl-5-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;N-(2-methylpropyl)-3-propan-2-ylbenzenesulfonamide;bis(1-(2-methylpropylsulfonyl)-3-propan-2-ylbenzene);3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-N-propylbenzenesulfonamide;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-3-carboxamide (PubChem CID 159884717) has the molecular formula C113H165FN12O11S5 and a molecular weight of 2046.97 g/mol. Its IUPAC name is N,N-dimethyl-5-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;N-(2-methylpropyl)-3-propan-2-ylbenzenesulfonamide;bis(1-(2-methylpropylsulfonyl)-3-propan-2-ylbenzene);3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-N-propylbenzenesulfonamide;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-3-carboxamide.
| Compound Name | N,N-dimethyl-5-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;N-(2-methylpropyl)-3-propan-2-ylbenzenesulfonamide;bis(1-(2-methylpropylsulfonyl)-3-propan-2-ylbenzene);3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-N-propylbenzenesulfonamide;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-3-carboxamide |
|---|---|
| PubChem CID | 159884717 |
| Molecular Formula | C113H165FN12O11S5 |
| Molecular Weight | 2046.97 g/mol |
| Exact Mass | 2045.13 |
| IUPAC Name | N,N-dimethyl-5-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;N-(2-methylpropyl)-3-propan-2-ylbenzenesulfonamide;bis(1-(2-methylpropylsulfonyl)-3-propan-2-ylbenzene);3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-N-propylbenzenesulfonamide;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-3-carboxamide |
| SMILES | CC(C)CNS(=O)(=O)c1cccc(C(C)C)c1.CC(C)CS(=O)(=O)c1cccc(C(C)C)c1.CC(C)CS(=O)(=O)c1cccc(C(C)C)c1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1cccnc1.CC(C)c1cncc(C#N)c1.CC(C)c1cncc(C(N)=O)c1.CC(C)c1cncc(F)c1.CC(C)c1cncc(S(C)(=O)=O)c1.CCCNS(=O)(=O)c1cccc(C(C)C)c1.Cc1ccc(C(C)C)cn1 |
| InChI | InChI=1S/C13H21NO2S.2C13H20O2S.C12H19NO2S.C10H16N2.C9H12N2O.C9H10N2.C9H13NO2S.C9H13N.C8H10FN.C8H11N/c1-10(2)9-14-17(15,16)13-7-5-6-12(8-13)11(3)4;2*1-10(2)9-16(14,15)13-7-5-6-12(8-13)11(3)4;1-4-8-13-16(14,15)12-7-5-6-11(9-12)10(2)3;1-8(2)9-5-6-10(11-7-9)12(3)4;1-6(2)7-3-8(9(10)12)5-11-4-7;1-7(2)9-3-8(4-10)5-11-6-9;1-7(2)8-4-9(6-10-5-8)13(3,11)12;1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-8(9)5-10-4-7;1-7(2)8-4-3-5-9-6-8/h5-8,10-11,14H,9H2,1-4H3;2*5-8,10-11H,9H2,1-4H3;5-7,9-10,13H,4,8H2,1-3H3;5-8H,1-4H3;3-6H,1-2H3,(H2,10,12);3,5-7H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;3-6H,1-2H3;3-7H,1-2H3 |
| InChIKey | NTZFCAJVWYGZIN-UHFFFAOYSA-N |
| XLogP | 26.04 |
| TPSA | 355.11 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 142 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2046.97 |
| LogP ≤ 5 | 26.04 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 20 |