2-methyl-5-(1-methylsulfonylpiperidin-4-yl)pyridine

C12H18N2O2S — CID 127814576

IUPAC2-methyl-5-(1-methylsulfonylpiperidin-4-yl)pyridine
SMILESCc1ccc(C2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C12H18N2O2S/c1-10-3-4-12(9-13-10)11-5-7-14(8-6-11)17(2,15)16/h3-4,9,11H,5-8H2,1-2H3
InChIKeyMPFNRZVQNPBMMO-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.53
Rot. Bonds2

About 2-methyl-5-(1-methylsulfonylpiperidin-4-yl)pyridine

2-methyl-5-(1-methylsulfonylpiperidin-4-yl)pyridine (PubChem CID 127814576) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-methyl-5-(1-methylsulfonylpiperidin-4-yl)pyridine.

Molecular Properties

Compound Name2-methyl-5-(1-methylsulfonylpiperidin-4-yl)pyridine
PubChem CID127814576
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-methyl-5-(1-methylsulfonylpiperidin-4-yl)pyridine
SMILESCc1ccc(C2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C12H18N2O2S/c1-10-3-4-12(9-13-10)11-5-7-14(8-6-11)17(2,15)16/h3-4,9,11H,5-8H2,1-2H3
InChIKeyMPFNRZVQNPBMMO-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 2-methyl-5-(1-methylsulfonylpiperidin-4-yl)pyridine?
The IUPAC name of 2-methyl-5-(1-methylsulfonylpiperidin-4-yl)pyridine (CID 127814576) is 2-methyl-5-(1-methylsulfonylpiperidin-4-yl)pyridine.
What is the SMILES notation for 2-methyl-5-(1-methylsulfonylpiperidin-4-yl)pyridine?
The canonical SMILES for 2-methyl-5-(1-methylsulfonylpiperidin-4-yl)pyridine is Cc1ccc(C2CCN(S(C)(=O)=O)CC2)cn1.
What is the InChIKey of 2-methyl-5-(1-methylsulfonylpiperidin-4-yl)pyridine?
The InChIKey is MPFNRZVQNPBMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-10-3-4-12(9-13-10)11-5-7-14(8-6-11)17(2,15)16/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of 2-methyl-5-(1-methylsulfonylpiperidin-4-yl)pyridine?
2-methyl-5-(1-methylsulfonylpiperidin-4-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 2-methyl-5-(1-methylsulfonylpiperidin-4-yl)pyridine is sourced from PubChem (CID 127814576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).