2-piperidin-1-ium-1-yl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C12H18N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-piperidin-1-ium-1-yl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-piperidin-1-ium-1-yl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C12H18N3OS |
| Smiles | O=C(C[NH+]1CCCCC1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C12H17N3OS/c16-12(10-15-6-2-1-3-7-15)14-13-9-11-5-4-8-17-11/h4-5,8-9H,1-3,6-7,10H2,(H,14,16)/p+1 |
| InChIK | UYOTXBNGWBPDRW-UHFFFAOYSA-O |
| TotalMolweight | 252.361 |
| Molweight | 252.361 |
| MonoisotopicMass | 252.117057 |
| CLogP | -0.0588 |
| CLogS | -2.64 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 216.57 |
| Relative PSA | 0.34151 |
| PolarSurfaceArea | 74.14 |
| Druglikeness | 2.6817 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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