SW9
Summary
| Name: | 4-{[(1M)-buta-1,2-dien-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 | 12.01 | 4-{[(1M)-buta-1,2-dien-1-yl](methyl)amino}-1lambda~6~-thiane-1,1-dione |
| OpenEye OEToolkits | 2.0.7 | ~{N}-buta-1,2-dienyl-~{N}-methyl-1,1-bis(oxidanylidene)thian-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S1(=O)CCC(CC1)N(C)\C=C=C\C |
| InChI | InChI | 1.06 | InChI=1S/C10H17NO2S/c1-3-4-7-11(2)10-5-8-14(12,13)9-6-10/h3,7,10H,5-6,8-9H2,1-2H3 |
| InChIKey | InChI | 1.06 | IVNADMIGBJJJFW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[CH]=[C@]=[CH]N(C)C1CC[S](=O)(=O)CC1 |
| SMILES | CACTVS | 3.385 | C[CH]=[C]=[CH]N(C)C1CC[S](=O)(=O)CC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC=C=CN(C)C1CCS(=O)(=O)CC1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC=C=CN(C)C1CCS(=O)(=O)CC1 |
