Basic information
- CAS
440660-56-0- Standard SMILES
CCOC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1- InChIKey
LHZGCVWZEOPXLC-UHFFFAOYSA-N- Molecular formula
- C12H16ClNO4S2
- Average molar mass
- 337.8 g/mol
- Monoisotopic mass
- 337.020928
Names & identifiers
- Preferred name
- 1-(5-Chloro-thiophene-2-sulfonyl)-piperidine-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxylate
Names & synonyms
1-(5-Chloro-thiophene-2-sulfonyl)-piperidine-4-carboxylic acid ethyl ester440660-56-0Ethyl 1-(5-chlorothiophene-2-sulfonyl)piperidine-4-carboxylateOprea1_271914MLS001217149CHEMBL1555656DTXSID501332465HMS2894F21ethyl 1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxylateAKOS001037453SMR000612691ST50142711
Show more names
AF-399/42255591Z45525103ethyl 1-[(5-chloro-2-thienyl)sulfonyl]piperidine-4-carboxylateethyl1-[(5-chloro-2-thienyl)sulfonyl]-4-piperidinecarboxylate
Database identifiers
- CAS
440660-56-0- PubChem CID
- 830456
- DTXSID
DTXSID501332465- ChEMBL
CHEMBL1555656
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 443
Experimental & physicochemical properties
Solubility12.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…