Basic information
- CAS
458554-46-6- Standard SMILES
CC1CCN(S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)CC1- InChIKey
ZGEHAWINSWBHBM-UHFFFAOYSA-N- Molecular formula
- C16H22N2O3S
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.13511374
Names & identifiers
- Preferred name
- N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]cyclopropanecarboxamide
- IUPAC
- N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]cyclopropanecarboxamide
Names & synonyms
458554-46-6N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]cyclopropanecarboxamideN-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}cyclopropanecarboxamideN-(4-((4-methylpiperidin-1-yl)sulfonyl)phenyl)cyclopropanecarboxamideOprea1_340086Oprea1_751695MLS001220655CHEMBL1336594DTXSID001322833HMS2905I05STK097805AKOS000493501
Show more names
Cyclopropanecarboxylic acid [4-(4-methyl-piperidine-1-sulfonyl)-phenyl]-amideSMR000611836AN-329/40925121F1443-3094N-[4-(4-Methylpiperidine-1-sulfonyl)phenyl]cyclopropanecarboxamide
Database identifiers
- CAS
458554-46-6- PubChem CID
- 802415
- DTXSID
DTXSID001322833- ChEMBL
CHEMBL1336594
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 494
Experimental & physicochemical properties
Solubility37.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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