Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(N2CC=C(N3CCCC3)CC2)cc1- InChIKey
QYIVRWQLSIODSZ-UHFFFAOYSA-N- Molecular formula
- C16H22N2O2S
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.14019912
Names & identifiers
- Preferred name
- 1,2,3,6-Tetrahydro-1-[4-(methylsulfonyl)phenyl]-4-(1-pyrrolidinyl)pyridine
- IUPAC
- 1-(4-methylsulfonylphenyl)-4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine
Names & synonyms
SCHEMBL10395798QYIVRWQLSIODSZ-UHFFFAOYSA-N1,2,3,6-Tetrahydro-1-[4-(methylsulfonyl)phenyl]-4-(1-pyrrolidinyl)pyridine
Database identifiers
- PubChem CID
- 14626795
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 481
Related reactions
4 records
Compound notes
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