N-[(Z)-pyridin-3-ylmethylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
Formula:C16H18N4O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-3-ylmethylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-3-ylmethylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide |
| MolecularFormula | C16H18N4O3S2 |
| Smiles | O=C(C(CC1)CCN1S(c1cccs1)(=O)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C16H18N4O3S2/c21-16(19-18-12-13-3-1-7-17-11-13)14-5-8-20(9-6-14)25(22,23)15-4-2-10-24-15/h1-4,7,10-12,14H,5-6,8-9H2,(H,19,21) |
| InChIK | DOGQJQRYPLQKBG-UHFFFAOYSA-N |
| TotalMolweight | 378.476 |
| Molweight | 378.476 |
| MonoisotopicMass | 378.082031 |
| CLogP | 1.9045 |
| CLogS | -2.56 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 274.61 |
| Relative PSA | 0.36222 |
| PolarSurfaceArea | 128.35 |
| Druglikeness | 8.5269 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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