WNM
Summary
| Name: | (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine |
| Formula: | C10 H14 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 226.295 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-1-(phenylsulfonyl)pyrrolidin-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(S(N1CCC(N)C1)(=O)=O)ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C10H14N2O2S/c11-9-6-7-12(8-9)15(13,14)10-4-2-1-3-5-10/h1-5,9H,6-8,11H2/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | ABNRKDROCBKFEH-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1CCN(C1)[S](=O)(=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | N[CH]1CCN(C1)[S](=O)(=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)S(=O)(=O)N2CC[C@@H](C2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)S(=O)(=O)N2CCC(C2)N |
