Basic information
- Standard SMILES
CCCS(=O)(=O)N(CCOC(C)=O)C1CC1- InChIKey
QYWWDEYXCOKOAD-UHFFFAOYSA-N- Molecular formula
- C10H19NO4S
- Average molar mass
- 249.33 g/mol
- Monoisotopic mass
- 249.10347926
Names & identifiers
- Preferred name
- Acetic acid 2-[cyclopropyl-(propane-1-sulfonyl)-amino]ethyl ester
- IUPAC
- 2-[cyclopropyl(propylsulfonyl)amino]ethyl acetate
Names & synonyms
SCHEMBL3089131QYWWDEYXCOKOAD-UHFFFAOYSA-NAcetic acid 2-[cyclopropyl-(propane-1-sulfonyl)-amino]-ethyl esterAcetic acid 2-[cyclopropyl-(propane-1-sulfonyl)-amino]ethyl ester
Database identifiers
- PubChem CID
- 59547802
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 329
Related reactions
8 records
Compound notes
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