Basic information
- Standard SMILES
CCOC(=O)C(C)(C)C(=O)NS(C)(=O)=O- InChIKey
PSRKUUJBNQPXSD-UHFFFAOYSA-N- Molecular formula
- C8H15NO5S
- Average molar mass
- 237.28 g/mol
Names & identifiers
- Preferred name
- Ethyl 2,2-dimethyl-3-[(methylsulfonyl)amino]-3-oxopropanoate
- IUPAC
- ethyl 3-(methanesulfonamido)-2,2-dimethyl-3-oxopropanoate
Names & synonyms
SCHEMBL3526594PSRKUUJBNQPXSD-UHFFFAOYSA-Nethyl 2,2-dimethyl-3-[(methylsulfonyl)amino]-3-oxopropanoate
Database identifiers
- PubChem CID
- 58728441
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 352
Related reactions
2 records
Compound notes
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