QT7
Summary
| Name: | 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide |
| Formula: | C11 H20 Cl N O3 S |
| Formal charge: | 0 |
| Formula weight: | 281.799 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-2-chloranyl-~{N}-(2,2-dimethylpropyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(CC(C)(C)C)(C1CCS(C1)(=O)=O)C(CCl)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H20ClNO3S/c1-11(2,3)8-13(10(14)6-12)9-4-5-17(15,16)7-9/h9H,4-8H2,1-3H3/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | NMHVAHHYKGXBMY-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)CN([C@@H]1CC[S](=O)(=O)C1)C(=O)CCl |
| SMILES | CACTVS | 3.385 | CC(C)(C)CN([CH]1CC[S](=O)(=O)C1)C(=O)CCl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)CN([C@@H]1CCS(=O)(=O)C1)C(=O)CCl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)CN(C1CCS(=O)(=O)C1)C(=O)CCl |
