A1BNP
Summary
| Name: | N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N,N',N'-trimethylurea |
| Formula: | C8 H16 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 220.289 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N,N',N'-trimethylurea |
| OpenEye OEToolkits | 3.1.0.0 | 1-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-1,3,3-trimethyl-urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CN(C1CCS(=O)(=O)C1)C(=O)N(C)C |
| InChI | InChI | 1.06 | InChI=1S/C8H16N2O3S/c1-9(2)8(11)10(3)7-4-5-14(12,13)6-7/h7H,4-6H2,1-3H3/t7-/m1/s1 |
| InChIKey | InChI | 1.06 | YBDUCJOFQJTISO-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)N(C)[C@@H]1CC[S](=O)(=O)C1 |
| SMILES | CACTVS | 3.385 | CN(C)C(=O)N(C)[CH]1CC[S](=O)(=O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CN(C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CN(C)C(=O)N(C)C1CCS(=O)(=O)C1 |
