Basic information
- Standard SMILES
CCCN1CC(c2ccc(NS(=O)(=O)c3cccs3)cc2)C1- InChIKey
ZUPRPNLHIVOJDF-UHFFFAOYSA-N- Molecular formula
- C16H20N2O2S2
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.09662023
Names & identifiers
- Preferred name
- Thiophene-2-sulfonic acid [4-(1-propyl-azetidin-3-yl)-phenyl]-amide
- IUPAC
- N-[4-(1-propylazetidin-3-yl)phenyl]thiophene-2-sulfonamide
Names & synonyms
ZUPRPNLHIVOJDF-UHFFFAOYSA-NThiophene-2-sulfonic acid [4-(1-propyl-azetidin-3-yl)-phenyl]-amide
Database identifiers
- PubChem CID
- 86636901
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 449
Related reactions
1 records
Compound notes
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