2-pyrrolidin-1-yl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C11H15N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-pyrrolidin-1-yl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-pyrrolidin-1-yl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C11H15N3OS |
| Smiles | O=C(CN1CCCC1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C11H15N3OS/c15-11(9-14-5-1-2-6-14)13-12-8-10-4-3-7-16-10/h3-4,7-8H,1-2,5-6,9H2,(H,13,15) |
| InChIK | MMHPAXDXFRKPKZ-UHFFFAOYSA-N |
| TotalMolweight | 237.326 |
| Molweight | 237.326 |
| MonoisotopicMass | 237.093582 |
| CLogP | 1.7089 |
| CLogS | -2.37 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 188.77 |
| Relative PSA | 0.31742 |
| PolarSurfaceArea | 72.94 |
| Druglikeness | 7.6041 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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