Q7Y
Summary
| Name: | 7-[(3-aminopropyl)amino]-1-sulfanylheptan-2-one |
| Formula: | C10 H22 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 218.359 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-[(3-aminopropyl)amino]-1-sulfanylheptan-2-one |
| OpenEye OEToolkits | 2.0.7 | 7-(3-azanylpropylamino)-1-sulfanyl-heptan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(CS)=O)CCCCNCCCN |
| InChI | InChI | 1.03 | InChI=1S/C10H22N2OS/c11-6-4-8-12-7-3-1-2-5-10(13)9-14/h12,14H,1-9,11H2 |
| InChIKey | InChI | 1.03 | OOZNPNMKAJIVIZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCNCCCCCC(=O)CS |
| SMILES | CACTVS | 3.385 | NCCCNCCCCCC(=O)CS |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CCC(=O)CS)CCNCCCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CCC(=O)CS)CCNCCCN |
