5-pyrrolidin-1-ylsulfonyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyridine
Formula:C15H20N3O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-pyrrolidin-1-ylsulfonyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyridine is a drug-like molecule.
| MolName | 5-pyrrolidin-1-ylsulfonyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyridine |
| MolecularFormula | C15H20N3O2F3S |
| Smiles | O=S(c(cc1)cnc1N(CCC1)C[C@@H]1C(F)(F)F)(N1CCCC1)=O |
| InChI | InChI=1S/C15H20F3N3O2S/c16-15(17,18)12-4-3-7-20(11-12)14-6-5-13(10-19-14)24(22,23)21-8-1-2-9-21/h5-6,10,12H,1-4,7-9,11H2/t12-/m1/s1 |
| InChIK | LMOFNRKTNRRQLL-GFCCVEGCSA-N |
| TotalMolweight | 363.403 |
| Molweight | 363.403 |
| MonoisotopicMass | 363.122831 |
| CLogP | 2.4615 |
| CLogS | -3.063 |
| H Acceptors | 5 |
| TotalSurfaceArea | 246.24 |
| Relative PSA | 0.18945 |
| PolarSurfaceArea | 61.89 |
| Druglikeness | -4.274 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
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