MW6
Summary
| Name: | (3S)-3-[(3-aminophenyl)sulfanylmethyl]piperidine-2,6-dione |
| Formula: | C12 H14 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 250.317 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-[(3-aminophenyl)sulfanylmethyl]piperidine-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H14N2O2S/c13-9-2-1-3-10(6-9)17-7-8-4-5-11(15)14-12(8)16/h1-3,6,8H,4-5,7,13H2,(H,14,15,16)/t8-/m1/s1 |
| InChIKey | InChI | 1.06 | YGPLIXYOXPSSRZ-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc(SC[C@H]2CCC(=O)NC2=O)c1 |
| SMILES | CACTVS | 3.385 | Nc1cccc(SC[CH]2CCC(=O)NC2=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)SC[C@H]2CCC(=O)NC2=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)SCC2CCC(=O)NC2=O)N |
