ZQD
Summary
| Name: | 3-[(2S)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole |
| Formula: | C9 H14 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 230.284 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(2S)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole |
| OpenEye OEToolkits | 2.0.7 | 5-methyl-3-[(2~{S})-1-methylsulfonylpyrrolidin-2-yl]-1,2-oxazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CS(=O)(=O)N1CCCC1c1cc(C)on1 |
| InChI | InChI | 1.03 | InChI=1S/C9H14N2O3S/c1-7-6-8(10-14-7)9-4-3-5-11(9)15(2,12)13/h6,9H,3-5H2,1-2H3/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | IUKADXXFBFQTOO-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(c1)[C@@H]2CCCN2[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | Cc1onc(c1)[CH]2CCCN2[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(no1)[C@@H]2CCCN2S(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(no1)C2CCCN2S(=O)(=O)C |
