Basic information
- Standard SMILES
COc1cc(C)c(S(=O)(=O)N2CCCCC2CI)c(C)c1- InChIKey
KQUXSJBTZQGZQC-UHFFFAOYSA-N- Molecular formula
- C15H22INO3S
- Average molar mass
- 423.3 g/mol
Names & identifiers
- Preferred name
- 2-(Iodomethyl)-1-(4-methoxy-2,6-dimethylphenylsulfonyl)piperidine
- IUPAC
- 2-(iodomethyl)-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidine
Names & synonyms
SCHEMBL640463KQUXSJBTZQGZQC-UHFFFAOYSA-N2-(Iodomethyl)-1-(4-methoxy-2,6-dimethylphenylsulfonyl)piperidine
Database identifiers
- PubChem CID
- 59367752
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 425
Related reactions
3 records
Compound notes
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