Methyl 3-[(4-methyl-1-piperidinyl)sulfonyl]benzoate
Basic information
- Standard SMILES
COC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1- InChIKey
ZOSYKCWTRNDOLF-UHFFFAOYSA-N- Molecular formula
- C14H19NO4S
- Average molar mass
- 297.37 g/mol
- Monoisotopic mass
- 297.10347926
Names & identifiers
- Preferred name
- Methyl 3-[(4-methyl-1-piperidinyl)sulfonyl]benzoate
- IUPAC
- methyl 3-(4-methylpiperidin-1-yl)sulfonylbenzoate
Names & synonyms
methyl 3-[(4-methyl-1-piperidinyl)sulfonyl]benzoateOprea1_455943Oprea1_530941MLS000062704CHEMBL1391754SCHEMBL14696862ZOSYKCWTRNDOLF-UHFFFAOYSA-NHMS2383B22AKOS000729648SMR000071241ST008078methyl 3-[(4-methylpiperidyl)sulfonyl]benzoate
Show more names
AG-205/11611227SR-01000518806SR-01000518806-1methyl 3-((4-methylpiperidin-1-yl)sulfonyl)benzoate
Database identifiers
- PubChem CID
- 793741
- ChEMBL
CHEMBL1391754
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 435
Related reactions
4 records
Compound notes
Loading…