2-oxo-2-piperidin-1-yl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C12H15N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-oxo-2-piperidin-1-yl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-oxo-2-piperidin-1-yl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C12H15N3O2S |
| Smiles | O=C(C(N1CCCCC1)=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C12H15N3O2S/c16-11(12(17)15-6-2-1-3-7-15)14-13-9-10-5-4-8-18-10/h4-5,8-9H,1-3,6-7H2,(H,14,16) |
| InChIK | QACUNYORPJSGMT-UHFFFAOYSA-N |
| TotalMolweight | 265.336 |
| Molweight | 265.336 |
| MonoisotopicMass | 265.088497 |
| CLogP | 1.7013 |
| CLogS | -2.622 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 206.52 |
| Relative PSA | 0.35328 |
| PolarSurfaceArea | 90.01 |
| Druglikeness | 4.7643 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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