A1A4Y
Summary
| Name: | 3-(methanesulfonyl)propan-1-amine |
| Formula: | C4 H11 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 137.201 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-(methanesulfonyl)propan-1-amine |
| OpenEye OEToolkits | 2.0.7 | 3-methylsulfonylpropan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NCCCS(C)(=O)=O |
| InChI | InChI | 1.06 | InChI=1S/C4H11NO2S/c1-8(6,7)4-2-3-5/h2-5H2,1H3 |
| InChIKey | InChI | 1.06 | QUYFSHOLLKVPGX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)CCCN |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)CCCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)CCCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)CCCN |
