A1CXA
Summary
| Name: | 4-(cyclopentylmethyl)-1lambda~6~-thiomorpholine-1,1-dione |
| Formula: | C10 H19 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 217.328 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-(cyclopentylmethyl)-1lambda~6~-thiomorpholine-1,1-dione |
| OpenEye OEToolkits | 3.1.0.0 | 4-(cyclopentylmethyl)-1,4-thiazinane 1,1-dioxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S1(=O)CCN(CC2CCCC2)CC1 |
| InChI | InChI | 1.06 | InChI=1S/C10H19NO2S/c12-14(13)7-5-11(6-8-14)9-10-3-1-2-4-10/h10H,1-9H2 |
| InChIKey | InChI | 1.06 | HRAPZHPUUXWUTA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=[S]1(=O)CCN(CC1)CC2CCCC2 |
| SMILES | CACTVS | 3.385 | O=[S]1(=O)CCN(CC1)CC2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1CCC(C1)CN2CCS(=O)(=O)CC2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1CCC(C1)CN2CCS(=O)(=O)CC2 |
