Basic information
- Standard SMILES
O=S(=O)(c1ccccc1)c1cc2c(s1)CCNCC2- InChIKey
BFUSEPHZJSMUCK-UHFFFAOYSA-N- Molecular formula
- C14H15NO2S2
- Average molar mass
- 293.4 g/mol
Names & identifiers
- Preferred name
- 2-Benzenesulfonyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
- IUPAC
- 2-(benzenesulfonyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
Names & synonyms
SCHEMBL1181704BFUSEPHZJSMUCK-UHFFFAOYSA-N2-Benzenesulfonyl-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
Database identifiers
- PubChem CID
- 24782854
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 398
Related reactions
2 records
Compound notes
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