5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine

C18H22N2O2S — CID 110264018

IUPAC5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine
SMILESCS(=O)(=O)N1CCCC(c2ccc(Cc3ccccc3)cn2)C1
InChIInChI=1S/C18H22N2O2S/c1-23(21,22)20-11-5-8-17(14-20)18-10-9-16(13-19-18)12-15-6-3-2-4-7-15/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3
InChIKeyVBZUGOKGHJLLBM-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.81
Rot. Bonds4

About 5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine

5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine (PubChem CID 110264018) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine.

Molecular Properties

Compound Name5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine
PubChem CID110264018
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine
SMILESCS(=O)(=O)N1CCCC(c2ccc(Cc3ccccc3)cn2)C1
InChIInChI=1S/C18H22N2O2S/c1-23(21,22)20-11-5-8-17(14-20)18-10-9-16(13-19-18)12-15-6-3-2-4-7-15/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3
InChIKeyVBZUGOKGHJLLBM-UHFFFAOYSA-N
XLogP2.81
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110264024
5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine
CID 125009856
2-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-[(3-fluorophenyl)methyl]pyridine
CID 124975359
5-[(4-chlorophenyl)methyl]-2-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyridine
CID 125027075
3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]-N,N-diethylpiperidine-1-sulfonamide
CID 110264030
4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole
CID 124998697
2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110082276
2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole
CID 124982395
3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3S)-3-(5-benzyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 92616543
2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine
CID 110257451
3-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]imidazo[1,2-a]pyrimidine
CID 125021786
N-cyclopropyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 92621927

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine?
The IUPAC name of 5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine (CID 110264018) is 5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine.
What is the SMILES notation for 5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine?
The canonical SMILES for 5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine is CS(=O)(=O)N1CCCC(c2ccc(Cc3ccccc3)cn2)C1.
What is the InChIKey of 5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine?
The InChIKey is VBZUGOKGHJLLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-23(21,22)20-11-5-8-17(14-20)18-10-9-16(13-19-18)12-15-6-3-2-4-7-15/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3.
What are the key properties of 5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine?
5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine has a molecular weight of 330.45 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine is sourced from PubChem (CID 110264018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).