A1BFX
Summary
| Name: | [(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone |
| Formula: | C9 H13 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 227.283 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | [(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone |
| OpenEye OEToolkits | 3.1.0.0 | [(2~{R},5~{R})-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(N1CC(C)OCC1C)c1cnsn1 |
| InChI | InChI | 1.06 | InChI=1S/C9H13N3O2S/c1-6-5-14-7(2)4-12(6)9(13)8-3-10-15-11-8/h3,6-7H,4-5H2,1-2H3 |
| InChIKey | InChI | 1.06 | IKMQGCCZPWFVJE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CN([C@H](C)CO1)C(=O)c2cnsn2 |
| SMILES | CACTVS | 3.385 | C[CH]1CN([CH](C)CO1)C(=O)c2cnsn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@H]1CN([C@@H](CO1)C)C(=O)c2cnsn2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1CN(C(CO1)C)C(=O)c2cnsn2 |
