(1Z)-2-amino-2-oxo-N-(4-piperidin-1-ylsulfonylanilino)ethanimidoyl cyanide
Formula:C14H17N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(1Z)-2-amino-2-oxo-N-(4-piperidin-1-ylsulfonylanilino)ethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-2-amino-2-oxo-N-(4-piperidin-1-ylsulfonylanilino)ethanimidoyl cyanide |
| MolecularFormula | C14H17N5O3S |
| Smiles | NC(/C(/C#N)=N\Nc(cc1)ccc1S(N1CCCCC1)(=O)=O)=O |
| InChI | InChI=1S/C14H17N5O3S/c15-10-13(14(16)20)18-17-11-4-6-12(7-5-11)23(21,22)19-8-2-1-3-9-19/h4-7,17H,1-3,8-9H2,(H2,16,20) |
| InChIK | MDCVYAWWDSJNGB-UHFFFAOYSA-N |
| TotalMolweight | 335.387 |
| Molweight | 335.387 |
| MonoisotopicMass | 335.10521 |
| CLogP | 1.4049 |
| CLogS | -1.909 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 249.85 |
| Relative PSA | 0.38811 |
| PolarSurfaceArea | 137.03 |
| Druglikeness | -0.98846 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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