UZ8
Summary
| Name: | [2-(methylsulfanyl)pyridin-3-yl](pyrrolidin-1-yl)methanone |
| Formula: | C11 H14 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 222.307 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [2-(methylsulfanyl)pyridin-3-yl](pyrrolidin-1-yl)methanone |
| OpenEye OEToolkits | 2.0.7 | (2-methylsulfanylpyridin-3-yl)-pyrrolidin-1-yl-methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1cccnc1SC)N1CCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C11H14N2OS/c1-15-10-9(5-4-6-12-10)11(14)13-7-2-3-8-13/h4-6H,2-3,7-8H2,1H3 |
| InChIKey | InChI | 1.06 | NVMKKNCLFDOZEG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ncccc1C(=O)N2CCCC2 |
| SMILES | CACTVS | 3.385 | CSc1ncccc1C(=O)N2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CSc1c(cccn1)C(=O)N2CCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CSc1c(cccn1)C(=O)N2CCCC2 |
