Basic information
- Standard SMILES
CCCC(C)C(C)C(CC(=O)OC(C)(C)C)NS(=O)c1ccc(C)cc1- InChIKey
ICPZESVIEWXAKQ-UHFFFAOYSA-N- Molecular formula
- C21H35NO3S
- Average molar mass
- 381.6 g/mol
- Monoisotopic mass
- 381.23376515
Names & identifiers
- IUPAC
- tert-butyl 4,5-dimethyl-3-[(4-methylphenyl)sulfinylamino]octanoate
Database identifiers
- PubChem CID
- 77630554
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 453
Related reactions
1 records
Compound notes
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