Basic information
- Standard SMILES
CCN(C1(C(=O)O)CC1)S(=O)(=O)c1ccc(Cl)s1- InChIKey
IOOXXPVNKIPZKL-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO4S2
- Average molar mass
- 309.8 g/mol
Names & identifiers
- Preferred name
- 1-[(5-Chloro-2-thienyl)sulfonyl-ethyl-amino]cyclopropanecarboxylic acid
- IUPAC
- 1-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]cyclopropane-1-carboxylic acid
Names & synonyms
SCHEMBL16004872IOOXXPVNKIPZKL-UHFFFAOYSA-N1-[(5-chloro-2-thienyl)sulfonyl-ethyl-amino]cyclopropanecarboxylic acid
Database identifiers
- PubChem CID
- 90384196
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 443
Related reactions
8 records
Compound notes
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