(2S)-1-(5-piperidin-1-ylsulfonylpyridin-2-yl)pyrrolidine-2-carboxamide
Formula:C15H22N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S)-1-(5-piperidin-1-ylsulfonylpyridin-2-yl)pyrrolidine-2-carboxamide is a drug-like molecule.
| MolName | (2S)-1-(5-piperidin-1-ylsulfonylpyridin-2-yl)pyrrolidine-2-carboxamide |
| MolecularFormula | C15H22N4O3S |
| Smiles | NC([C@H](CCC1)N1c(cc1)ncc1S(N1CCCCC1)(=O)=O)=O |
| InChI | InChI=1S/C15H22N4O3S/c16-15(20)13-5-4-10-19(13)14-7-6-12(11-17-14)23(21,22)18-8-2-1-3-9-18/h6-7,11,13H,1-5,8-10H2,(H2,16,20)/t13-/m0/s1 |
| InChIK | PGLFUJLMERTIGF-ZDUSSCGKSA-N |
| TotalMolweight | 338.431 |
| Molweight | 338.431 |
| MonoisotopicMass | 338.141261 |
| CLogP | 0.3585 |
| CLogS | -2.092 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 243.05 |
| Relative PSA | 0.30841 |
| PolarSurfaceArea | 104.98 |
| Druglikeness | 4.4754 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 3 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
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