(E)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-thiophen-2-ylprop-2-enamide
Formula:C11H13NO3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C11H13NO3S2 |
| Smiles | O=C(/C=C/c1cccs1)N[C@@H](CC1)CS1(=O)=O |
| InChI | InChI=1S/C11H13NO3S2/c13-11(4-3-10-2-1-6-16-10)12-9-5-7-17(14,15)8-9/h1-4,6,9H,5,7-8H2,(H,12,13)/t9-/m1/s1 |
| InChIK | HDVLCMBOYCDBHX-SECBINFHSA-N |
| TotalMolweight | 271.36 |
| Molweight | 271.36 |
| MonoisotopicMass | 271.033684 |
| CLogP | 0.6579 |
| CLogS | -2.545 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 193.77 |
| Relative PSA | 0.37901 |
| PolarSurfaceArea | 99.86 |
| Druglikeness | -0.34418 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - (E)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-thiophen-2-ylprop-2-enamide
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