2-methyl-6-(3-methylthiomorpholin-4-yl)pyridine-4-carbonitrile

C12H15N3S — CID 114766322

IUPAC2-methyl-6-(3-methylthiomorpholin-4-yl)pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N2CCSCC2C)n1
InChIInChI=1S/C12H15N3S/c1-9-5-11(7-13)6-12(14-9)15-3-4-16-8-10(15)2/h5-6,10H,3-4,8H2,1-2H3
InChIKeyNLJVUHRWTWSPJD-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.20
Rot. Bonds1

About 2-methyl-6-(3-methylthiomorpholin-4-yl)pyridine-4-carbonitrile

2-methyl-6-(3-methylthiomorpholin-4-yl)pyridine-4-carbonitrile (PubChem CID 114766322) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-methyl-6-(3-methylthiomorpholin-4-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-(3-methylthiomorpholin-4-yl)pyridine-4-carbonitrile
PubChem CID114766322
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-methyl-6-(3-methylthiomorpholin-4-yl)pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N2CCSCC2C)n1
InChIInChI=1S/C12H15N3S/c1-9-5-11(7-13)6-12(14-9)15-3-4-16-8-10(15)2/h5-6,10H,3-4,8H2,1-2H3
InChIKeyNLJVUHRWTWSPJD-UHFFFAOYSA-N
XLogP2.20
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylthiomorpholin-4-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-(3-methylthiomorpholin-4-yl)pyridine-4-carbonitrile (CID 114766322) is 2-methyl-6-(3-methylthiomorpholin-4-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-(3-methylthiomorpholin-4-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-(3-methylthiomorpholin-4-yl)pyridine-4-carbonitrile is Cc1cc(C#N)cc(N2CCSCC2C)n1.
What is the InChIKey of 2-methyl-6-(3-methylthiomorpholin-4-yl)pyridine-4-carbonitrile?
The InChIKey is NLJVUHRWTWSPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9-5-11(7-13)6-12(14-9)15-3-4-16-8-10(15)2/h5-6,10H,3-4,8H2,1-2H3.
What are the key properties of 2-methyl-6-(3-methylthiomorpholin-4-yl)pyridine-4-carbonitrile?
2-methyl-6-(3-methylthiomorpholin-4-yl)pyridine-4-carbonitrile has a molecular weight of 233.34 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methylthiomorpholin-4-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 114766322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).