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

C13H20N2O2S — CID 110254244

IUPAC5-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine
SMILESCc1ccc(CC2CCCN(S(C)(=O)=O)C2)nc1
InChIInChI=1S/C13H20N2O2S/c1-11-5-6-13(14-9-11)8-12-4-3-7-15(10-12)18(2,16)17/h5-6,9,12H,3-4,7-8,10H2,1-2H3
InChIKeyUCCSYGMQBRQFQY-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.60
Rot. Bonds3

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

5-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine (PubChem CID 110254244) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 5-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine.

Molecular Properties

Compound Name5-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine
PubChem CID110254244
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name5-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine
SMILESCc1ccc(CC2CCCN(S(C)(=O)=O)C2)nc1
InChIInChI=1S/C13H20N2O2S/c1-11-5-6-13(14-9-11)8-12-4-3-7-15(10-12)18(2,16)17/h5-6,9,12H,3-4,7-8,10H2,1-2H3
InChIKeyUCCSYGMQBRQFQY-UHFFFAOYSA-N
XLogP1.60
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.60
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)methyl]pyridine?
The IUPAC name of 5-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine (CID 110254244) is 5-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine.
What is the SMILES notation for 5-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine?
The canonical SMILES for 5-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine is Cc1ccc(CC2CCCN(S(C)(=O)=O)C2)nc1.
What is the InChIKey of 5-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine?
The InChIKey is UCCSYGMQBRQFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-11-5-6-13(14-9-11)8-12-4-3-7-15(10-12)18(2,16)17/h5-6,9,12H,3-4,7-8,10H2,1-2H3.
What are the key properties of 5-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine?
5-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine has a molecular weight of 268.38 g/mol, XLogP of 1.60, 3 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)methyl]pyridine is sourced from PubChem (CID 110254244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).