Basic information
- Standard SMILES
CCOC(=O)C(NS(=O)C(C)(C)C)c1c(OC)cccc1OC- InChIKey
XWEANQRCSLUJSM-UHFFFAOYSA-N- Molecular formula
- C16H25NO5S
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.14534407
Names & identifiers
- Preferred name
- Ethyl 2-(2,6-dimethoxyphenyl)-2-(1,1-dimethylethylsulfinamido)-acetate
- IUPAC
- ethyl 2-(tert-butylsulfinylamino)-2-(2,6-dimethoxyphenyl)acetate
Names & synonyms
SCHEMBL4541257XWEANQRCSLUJSM-UHFFFAOYSA-Nethyl 2-(2,6-dimethoxyphenyl)-2-(1,1-dimethylethylsulfinamido)-acetateethyl 2-(2,6-dimethoxyphenyl)-2-(1,1-dimethylethylsulfinamido)acetate
Database identifiers
- PubChem CID
- 69084952
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 398
Related reactions
2 records
Compound notes
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