N-[(Z)-(3-oxocyclohexylidene)amino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
Formula:C16H21N3O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-oxocyclohexylidene)amino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-oxocyclohexylidene)amino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide |
| MolecularFormula | C16H21N3O4S2 |
| Smiles | O=C(C(CC1)CCN1S(c1cccs1)(=O)=O)N/N=C(/CCC1)\CC1=O |
| InChI | InChI=1S/C16H21N3O4S2/c20-14-4-1-3-13(11-14)17-18-16(21)12-6-8-19(9-7-12)25(22,23)15-5-2-10-24-15/h2,5,10,12H,1,3-4,6-9,11H2,(H,18,21) |
| InChIK | QWOFAFGNUXSHMT-UHFFFAOYSA-N |
| TotalMolweight | 383.492 |
| Molweight | 383.492 |
| MonoisotopicMass | 383.097347 |
| CLogP | 1.9477 |
| CLogS | -2.869 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 273.59 |
| Relative PSA | 0.37114 |
| PolarSurfaceArea | 132.53 |
| Druglikeness | 2.7711 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 10 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(3-oxocyclohexylidene)amino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide | 2 - N-[(Z)-(3-oxocyclohexylidene)amino]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
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