Basic information
- Standard SMILES
CN(C)C[C@H]1COc2c(Cl)cc(S(C)(=O)=O)cc2O1- InChIKey
PEOWPJFIOSDEAU-QMMMGPOBSA-N- Molecular formula
- C12H16ClNO4S
- Average molar mass
- 305.78 g/mol
- Monoisotopic mass
- 305.0488569
Names & identifiers
- Preferred name
- 1-[(2S)-5-Chloro-7-(methylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-YL]-N,N-dimethylmethanamine
- IUPAC
- 1-[(2S)-5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]-N,N-dimethylmethanamine
Names & synonyms
SCHEMBL1889982PEOWPJFIOSDEAU-QMMMGPOBSA-N1-[(2S)-5-CHLORO-7-(METHYLSULFONYL)-2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL]-N,N-DIMETHYLMETHANAMINE
Database identifiers
- PubChem CID
- 44470300
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 408
Related reactions
1 records
Compound notes
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