| MolName | 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C11H15N3O3S2 |
| Smiles | O=C(CN(CC1)CCS1(=O)=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C11H15N3O3S2/c15-11(13-12-8-10-2-1-5-18-10)9-14-3-6-19(16,17)7-4-14/h1-2,5,8H,3-4,6-7,9H2,(H,13,15) |
| InChIK | XZGZVUJVUITRCG-UHFFFAOYSA-N |
| TotalMolweight | 301.39 |
| Molweight | 301.39 |
| MonoisotopicMass | 301.055482 |
| CLogP | 0.2009 |
| CLogS | -1.88 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 217.35 |
| Relative PSA | 0.40718 |
| PolarSurfaceArea | 115.46 |
| Druglikeness | 4.6446 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide