Z9I
Summary
| Name: | 1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine |
| Formula: | C6 H14 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 178.253 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine |
| OpenEye OEToolkits | 2.0.7 | [(2~{R})-1-methylsulfonylpyrrolidin-2-yl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NCC1CCCN1S(=O)(C)=O |
| InChI | InChI | 1.06 | InChI=1S/C6H14N2O2S/c1-11(9,10)8-4-2-3-6(8)5-7/h6H,2-5,7H2,1H3/t6-/m1/s1 |
| InChIKey | InChI | 1.06 | RYZYXPKYSJEBDD-ZCFIWIBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)N1CCC[C@@H]1CN |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)N1CCC[CH]1CN |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)N1CCC[C@@H]1CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)N1CCCC1CN |
