(1E)-2-amino-N-(4-piperidin-1-ylsulfonylanilino)-2-sulfanylideneethanimidoyl cyanide
Formula:C14H17N5O2S2
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
(1E)-2-amino-N-(4-piperidin-1-ylsulfonylanilino)-2-sulfanylideneethanimidoyl cyanide is a drug-like molecule.
| MolName | (1E)-2-amino-N-(4-piperidin-1-ylsulfonylanilino)-2-sulfanylideneethanimidoyl cyanide |
| MolecularFormula | C14H17N5O2S2 |
| Smiles | NC(/C(/C#N)=N/Nc(cc1)ccc1S(N1CCCCC1)(=O)=O)=S |
| InChI | InChI=1S/C14H17N5O2S2/c15-10-13(14(16)22)18-17-11-4-6-12(7-5-11)23(20,21)19-8-2-1-3-9-19/h4-7,17H,1-3,8-9H2,(H2,16,22) |
| InChIK | DRJBDRCQFSHYKM-UHFFFAOYSA-N |
| TotalMolweight | 351.454 |
| Molweight | 351.454 |
| MonoisotopicMass | 351.082365 |
| CLogP | 1.8779 |
| CLogS | -2.846 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 264.81 |
| Relative PSA | 0.42268 |
| PolarSurfaceArea | 152.05 |
| Druglikeness | -2.3741 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| 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 | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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