(3S)-1-(benzenesulfonyl)-N-[(Z)-pyridin-3-ylmethylideneamino]piperidine-3-carboxamide
Formula:C18H20N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3S)-1-(benzenesulfonyl)-N-[(Z)-pyridin-3-ylmethylideneamino]piperidine-3-carboxamide is a drug-like molecule.
| MolName | (3S)-1-(benzenesulfonyl)-N-[(Z)-pyridin-3-ylmethylideneamino]piperidine-3-carboxamide |
| MolecularFormula | C18H20N4O3S |
| Smiles | O=C([C@@H](CCC1)CN1S(c1ccccc1)(=O)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C18H20N4O3S/c23-18(21-20-13-15-6-4-10-19-12-15)16-7-5-11-22(14-16)26(24,25)17-8-2-1-3-9-17/h1-4,6,8-10,12-13,16H,5,7,11,14H2,(H,21,23)/t16-/m0/s1 |
| InChIK | LDDALLKZVSGELW-INIZCTEOSA-N |
| TotalMolweight | 372.448 |
| Molweight | 372.448 |
| MonoisotopicMass | 372.125611 |
| CLogP | 1.9154 |
| CLogS | -2.643 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 278.67 |
| Relative PSA | 0.28388 |
| PolarSurfaceArea | 100.11 |
| Druglikeness | -0.027541 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3S)-1-(benzenesulfonyl)-N-[(Z)-pyridin-3-ylmethylideneamino]piperidine-3-carboxamide | 2 - (3S)-1-(benzenesulfonyl)-N-[(Z)-pyridin-3-ylmethylideneamino]piperidine-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off