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

C12H15N3S — CID 115871169

IUPAC6-methyl-2-(2-methylthiomorpholin-4-yl)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCSC(C)C2)n1
InChIInChI=1S/C12H15N3S/c1-9-3-4-11(7-13)12(14-9)15-5-6-16-10(2)8-15/h3-4,10H,5-6,8H2,1-2H3
InChIKeyVDJUKDDSVRBJJV-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.20
Rot. Bonds1

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

6-methyl-2-(2-methylthiomorpholin-4-yl)pyridine-3-carbonitrile (PubChem CID 115871169) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 6-methyl-2-(2-methylthiomorpholin-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(2-methylthiomorpholin-4-yl)pyridine-3-carbonitrile
PubChem CID115871169
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name6-methyl-2-(2-methylthiomorpholin-4-yl)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCSC(C)C2)n1
InChIInChI=1S/C12H15N3S/c1-9-3-4-11(7-13)12(14-9)15-5-6-16-10(2)8-15/h3-4,10H,5-6,8H2,1-2H3
InChIKeyVDJUKDDSVRBJJV-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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Related Compounds

6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 115300809
[1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane
CID 144625430
6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carbonitrile
CID 57401602
2-[3-(difluoromethyl)azetidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 171994335
6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile
CID 114237200
2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 113343675
2-[(3S)-4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]-6-methylpyridine-3-carbonitrile
CID 124596688
2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 172899335
2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile
CID 62232169
2-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 133113211
2-(8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carbonitrile
CID 55159875
5-(2-methylthiomorpholin-4-yl)pyridine-2-carbonitrile
CID 115680930

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylthiomorpholin-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-(2-methylthiomorpholin-4-yl)pyridine-3-carbonitrile (CID 115871169) is 6-methyl-2-(2-methylthiomorpholin-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-(2-methylthiomorpholin-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-(2-methylthiomorpholin-4-yl)pyridine-3-carbonitrile is Cc1ccc(C#N)c(N2CCSC(C)C2)n1.
What is the InChIKey of 6-methyl-2-(2-methylthiomorpholin-4-yl)pyridine-3-carbonitrile?
The InChIKey is VDJUKDDSVRBJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9-3-4-11(7-13)12(14-9)15-5-6-16-10(2)8-15/h3-4,10H,5-6,8H2,1-2H3.
What are the key properties of 6-methyl-2-(2-methylthiomorpholin-4-yl)pyridine-3-carbonitrile?
6-methyl-2-(2-methylthiomorpholin-4-yl)pyridine-3-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 6-methyl-2-(2-methylthiomorpholin-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 115871169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).