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

C12H18N2O2S — CID 110269283

IUPAC5-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine
SMILESCc1ccc(C2CCCN(S(C)(=O)=O)C2)nc1
InChIInChI=1S/C12H18N2O2S/c1-10-5-6-12(13-8-10)11-4-3-7-14(9-11)17(2,15)16/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyNQMWEWRHGWXHGZ-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.53
Rot. Bonds2

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

5-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine (PubChem CID 110269283) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine.

Molecular Properties

Compound Name5-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine
PubChem CID110269283
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name5-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine
SMILESCc1ccc(C2CCCN(S(C)(=O)=O)C2)nc1
InChIInChI=1S/C12H18N2O2S/c1-10-5-6-12(13-8-10)11-4-3-7-14(9-11)17(2,15)16/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyNQMWEWRHGWXHGZ-UHFFFAOYSA-N
XLogP1.53
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine?
The IUPAC name of 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine (CID 110269283) is 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine.
What is the SMILES notation for 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine?
The canonical SMILES for 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine is Cc1ccc(C2CCCN(S(C)(=O)=O)C2)nc1.
What is the InChIKey of 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine?
The InChIKey is NQMWEWRHGWXHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-10-5-6-12(13-8-10)11-4-3-7-14(9-11)17(2,15)16/h5-6,8,11H,3-4,7,9H2,1-2H3.
What are the key properties of 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine?
5-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine has a molecular weight of 254.35 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine is sourced from PubChem (CID 110269283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).