N-amino-N'-(benzenesulfonyl)pyrrolidine-1-carboximidamide
Formula:C11H16N4O2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-amino-N'-(benzenesulfonyl)pyrrolidine-1-carboximidamide is a drug-like molecule.
| MolName | N-amino-N'-(benzenesulfonyl)pyrrolidine-1-carboximidamide |
| MolecularFormula | C11H16N4O2S |
| Smiles | NN/C(/N1CCCC1)=N/S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C11H16N4O2S/c12-13-11(15-8-4-5-9-15)14-18(16,17)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,12H2,(H,13,14) |
| InChIK | FDHAKDNKNOHRAJ-UHFFFAOYSA-N |
| TotalMolweight | 268.34 |
| Molweight | 268.34 |
| MonoisotopicMass | 268.099396 |
| CLogP | 0.5281 |
| CLogS | -2.407 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 196.63 |
| Relative PSA | 0.35788 |
| PolarSurfaceArea | 96.17 |
| Druglikeness | -7.2098 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | hydrazine |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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