(E)-4-oxo-4-(4-piperidin-1-ylsulfonylanilino)but-2-enoate
Formula:C15H17N2O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-oxo-4-(4-piperidin-1-ylsulfonylanilino)but-2-enoate is a drug-like molecule.
| MolName | (E)-4-oxo-4-(4-piperidin-1-ylsulfonylanilino)but-2-enoate |
| MolecularFormula | C15H17N2O5S |
| Smiles | [O-]C(/C=C/C(Nc(cc1)ccc1S(N1CCCCC1)(=O)=O)=O)=O |
| InChI | InChI=1S/C15H18N2O5S/c18-14(8-9-15(19)20)16-12-4-6-13(7-5-12)23(21,22)17-10-2-1-3-11-17/h4-9H,1-3,10-11H2,(H,16,18)(H,19,20)/p-1 |
| InChIK | DZZZAXJHZCYLIH-UHFFFAOYSA-M |
| TotalMolweight | 337.375 |
| Molweight | 337.375 |
| MonoisotopicMass | 337.085818 |
| CLogP | -1.1256 |
| CLogS | -1.84 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 248.43 |
| Relative PSA | 0.33792 |
| PolarSurfaceArea | 114.99 |
| Druglikeness | 1.914 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-4-oxo-4-(4-piperidin-1-ylsulfonylanilino)but-2-enoate | 2 - (E)-4-oxo-4-(4-piperidin-1-ylsulfonylanilino)but-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off