1-(Cyclopentanesulfonyl)-4,4-dimethylpiperidine-3-carboxylic acid
Basic information
- CAS
1253226-44-6- Standard SMILES
CC1(C)CCN(S(=O)(=O)C2CCCC2)CC1C(=O)O- InChIKey
ZEFKWSFTNOWOIO-UHFFFAOYSA-N- Molecular formula
- C13H23NO4S
- Average molar mass
- 289.39 g/mol
- Monoisotopic mass
- 289.13477939
Names & identifiers
- Preferred name
- 1-(Cyclopentanesulfonyl)-4,4-dimethylpiperidine-3-carboxylic acid
- IUPAC
- 1-cyclopentylsulfonyl-4,4-dimethylpiperidine-3-carboxylic acid
Names & synonyms
1253226-44-6DTXSID307256731-(Cyclopentanesulfonyl)-4,4-dimethylpiperidine-3-carboxylic acid
Database identifiers
- CAS
1253226-44-6- PubChem CID
- 57415992
- DTXSID
DTXSID30725673
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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