2-piperidin-1-ium-1-yl-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
Formula:C17H24N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-piperidin-1-ium-1-yl-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-piperidin-1-ium-1-yl-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C17H24N3O2S |
| Smiles | O=C(C[NH+]1CCCCC1)N/N=C\c(cc1)ccc1OC1CSC1 |
| InChI | InChI=1S/C17H23N3O2S/c21-17(11-20-8-2-1-3-9-20)19-18-10-14-4-6-15(7-5-14)22-16-12-23-13-16/h4-7,10,16H,1-3,8-9,11-13H2,(H,19,21)/p+1 |
| InChIK | UNUQTRVCCZUJLH-UHFFFAOYSA-O |
| TotalMolweight | 334.463 |
| Molweight | 334.463 |
| MonoisotopicMass | 334.158922 |
| CLogP | 0.1192 |
| CLogS | -3.479 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 274.64 |
| Relative PSA | 0.29526 |
| PolarSurfaceArea | 80.43 |
| Druglikeness | 1.5707 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 5 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-piperidin-1-ium-1-yl-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide | 2 - 2-piperidin-1-ium-1-yl-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
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