N-[(Z)-thiophen-2-ylmethylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
Formula:C15H17N3O3S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-thiophen-2-ylmethylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-thiophen-2-ylmethylideneamino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide |
| MolecularFormula | C15H17N3O3S3 |
| Smiles | O=C(C(CC1)CCN1S(c1cccs1)(=O)=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C15H17N3O3S3/c19-15(17-16-11-13-3-1-9-22-13)12-5-7-18(8-6-12)24(20,21)14-4-2-10-23-14/h1-4,9-12H,5-8H2,(H,17,19) |
| InChIK | HNZIQKABLMVKHM-UHFFFAOYSA-N |
| TotalMolweight | 383.516 |
| Molweight | 383.516 |
| MonoisotopicMass | 383.043202 |
| CLogP | 2.772 |
| CLogS | -3.365 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 271.79 |
| Relative PSA | 0.40053 |
| PolarSurfaceArea | 143.7 |
| Druglikeness | 8.9146 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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