3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide
Formula:C17H24N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide is a drug-like molecule.
| MolName | 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide |
| MolecularFormula | C17H24N2O2S |
| Smiles | O=S(CC1)(CC1N1CCN(C/C=C/c2ccccc2)CC1)=O |
| InChI | InChI=1S/C17H24N2O2S/c20-22(21)14-8-17(15-22)19-12-10-18(11-13-19)9-4-7-16-5-2-1-3-6-16/h1-7,17H,8-15H2/t17-/m1/s1 |
| InChIK | UNKWYLSIYFRMBX-QGZVFWFLSA-N |
| TotalMolweight | 320.456 |
| Molweight | 320.456 |
| MonoisotopicMass | 320.155848 |
| CLogP | 1.4858 |
| CLogS | -1.76 |
| H Acceptors | 4 |
| TotalSurfaceArea | 244.52 |
| Relative PSA | 0.14592 |
| PolarSurfaceArea | 49 |
| Druglikeness | 2.342 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 5 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon | racemate |
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1 - 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide | 2 - 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide
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