NV7
Summary
| Name: | 1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine |
| Formula: | C10 H16 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 244.311 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine |
| OpenEye OEToolkits | 2.0.6 | 1-(furan-2-ylmethyl)-4-methylsulfonyl-piperazine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N2(CCN(Cc1occc1)CC2)S(C)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H16N2O3S/c1-16(13,14)12-6-4-11(5-7-12)9-10-3-2-8-15-10/h2-3,8H,4-7,9H2,1H3 |
| InChIKey | InChI | 1.03 | GATWUHAFAYSJAM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)N1CCN(CC1)Cc2occc2 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)N1CCN(CC1)Cc2occc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)N1CCN(CC1)Cc2ccco2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)N1CCN(CC1)Cc2ccco2 |
