5-(2-methylthiomorpholin-4-yl)pyridine-2-carbonitrile

C11H13N3S — CID 115680930

IUPAC5-(2-methylthiomorpholin-4-yl)pyridine-2-carbonitrile
SMILESCC1CN(c2ccc(C#N)nc2)CCS1
InChIInChI=1S/C11H13N3S/c1-9-8-14(4-5-15-9)11-3-2-10(6-12)13-7-11/h2-3,7,9H,4-5,8H2,1H3
InChIKeyUMPKSEOGAJVSKT-UHFFFAOYSA-N
MW219.31 g/mol
LogP1.89
Rot. Bonds1

About 5-(2-methylthiomorpholin-4-yl)pyridine-2-carbonitrile

5-(2-methylthiomorpholin-4-yl)pyridine-2-carbonitrile (PubChem CID 115680930) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 5-(2-methylthiomorpholin-4-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-methylthiomorpholin-4-yl)pyridine-2-carbonitrile
PubChem CID115680930
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name5-(2-methylthiomorpholin-4-yl)pyridine-2-carbonitrile
SMILESCC1CN(c2ccc(C#N)nc2)CCS1
InChIInChI=1S/C11H13N3S/c1-9-8-14(4-5-15-9)11-3-2-10(6-12)13-7-11/h2-3,7,9H,4-5,8H2,1H3
InChIKeyUMPKSEOGAJVSKT-UHFFFAOYSA-N
XLogP1.89
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile
CID 104977608
5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839657
5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839099
5-morpholin-4-ylpyridine-2-carbonitrile
CID 43811106
5-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 79839573
4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile
CID 79838851
5-[(4S)-4-hydroxy-3,3-dimethylpyrrolidin-1-yl]pyridine-2-carbonitrile
CID 125139702
5-(3-methylsulfanylazepan-1-yl)pyridine-2-carbonitrile
CID 133395003
5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 115490476
5-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 97119042
5-[3-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 115490405
5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 133338678

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylthiomorpholin-4-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-(2-methylthiomorpholin-4-yl)pyridine-2-carbonitrile (CID 115680930) is 5-(2-methylthiomorpholin-4-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(2-methylthiomorpholin-4-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(2-methylthiomorpholin-4-yl)pyridine-2-carbonitrile is CC1CN(c2ccc(C#N)nc2)CCS1.
What is the InChIKey of 5-(2-methylthiomorpholin-4-yl)pyridine-2-carbonitrile?
The InChIKey is UMPKSEOGAJVSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-9-8-14(4-5-15-9)11-3-2-10(6-12)13-7-11/h2-3,7,9H,4-5,8H2,1H3.
What are the key properties of 5-(2-methylthiomorpholin-4-yl)pyridine-2-carbonitrile?
5-(2-methylthiomorpholin-4-yl)pyridine-2-carbonitrile has a molecular weight of 219.31 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylthiomorpholin-4-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 115680930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).