YFN
Summary
| Name: | N-[(3S)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide |
| Formula: | C9 H15 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 217.285 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(3S)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(3~{S})-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]cyclopropanecarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S1(=O)CCC(C)(NC(=O)C2CC2)C1 |
| InChI | InChI | 1.06 | InChI=1S/C9H15NO3S/c1-9(4-5-14(12,13)6-9)10-8(11)7-2-3-7/h7H,2-6H2,1H3,(H,10,11)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | LMUYJJAKMZKBHS-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@]1(CC[S](=O)(=O)C1)NC(=O)C2CC2 |
| SMILES | CACTVS | 3.385 | C[C]1(CC[S](=O)(=O)C1)NC(=O)C2CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@]1(CCS(=O)(=O)C1)NC(=O)C2CC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CCS(=O)(=O)C1)NC(=O)C2CC2 |
