Basic information
- Standard SMILES
CCc1cc([N+](=O)[O-])c(OC)cc1N1CCC(CCS(C)(=O)=O)CC1- InChIKey
PQZKSHYOOQMELN-UHFFFAOYSA-N- Molecular formula
- C17H26N2O5S
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.15624311
Names & identifiers
- Preferred name
- 1-[2-Ethyl-5-(methyloxy)-4-nitrophenyl]-4-[2-(methylsulfonyl)ethyl]piperidine
- IUPAC
- 1-(2-ethyl-5-methoxy-4-nitrophenyl)-4-(2-methylsulfonylethyl)piperidine
Names & synonyms
SCHEMBL310912PQZKSHYOOQMELN-UHFFFAOYSA-N1-[2-ethyl-5-(methyloxy)-4-nitrophenyl]-4-[2-(methylsulfonyl)ethyl]piperidine
Database identifiers
- PubChem CID
- 59452897
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 534
Related reactions
4 records
Compound notes
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