A1BFS
Summary
| Name: | 4-[(but-2-yn-1-yl)(methyl)amino]-1lambda~6~-thiane-1,1-dione |
| Formula: | C10 H17 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 215.312 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-[(but-2-yn-1-yl)(methyl)amino]-1lambda~6~-thiane-1,1-dione |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-but-2-ynyl-~{N}-methyl-1,1-bis(oxidanylidene)thian-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S1(=O)CCC(CC1)N(C)CC#CC |
| InChI | InChI | 1.06 | InChI=1S/C10H17NO2S/c1-3-4-7-11(2)10-5-8-14(12,13)9-6-10/h10H,5-9H2,1-2H3 |
| InChIKey | InChI | 1.06 | PFUSCIQPWKGDKP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC#CCN(C)C1CC[S](=O)(=O)CC1 |
| SMILES | CACTVS | 3.385 | CC#CCN(C)C1CC[S](=O)(=O)CC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC#CCN(C)C1CCS(=O)(=O)CC1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC#CCN(C)C1CCS(=O)(=O)CC1 |
