2-(2-ethylthiomorpholin-4-yl)-6-methylpyridine-4-carbonitrile

C13H17N3S — CID 114766685

IUPAC2-(2-ethylthiomorpholin-4-yl)-6-methylpyridine-4-carbonitrile
SMILESCCC1CN(c2cc(C#N)cc(C)n2)CCS1
InChIInChI=1S/C13H17N3S/c1-3-12-9-16(4-5-17-12)13-7-11(8-14)6-10(2)15-13/h6-7,12H,3-5,9H2,1-2H3
InChIKeyTYIHEPKIETYJKE-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.59
Rot. Bonds2

About 2-(2-ethylthiomorpholin-4-yl)-6-methylpyridine-4-carbonitrile

2-(2-ethylthiomorpholin-4-yl)-6-methylpyridine-4-carbonitrile (PubChem CID 114766685) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-(2-ethylthiomorpholin-4-yl)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-ethylthiomorpholin-4-yl)-6-methylpyridine-4-carbonitrile
PubChem CID114766685
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-(2-ethylthiomorpholin-4-yl)-6-methylpyridine-4-carbonitrile
SMILESCCC1CN(c2cc(C#N)cc(C)n2)CCS1
InChIInChI=1S/C13H17N3S/c1-3-12-9-16(4-5-17-12)13-7-11(8-14)6-10(2)15-13/h6-7,12H,3-5,9H2,1-2H3
InChIKeyTYIHEPKIETYJKE-UHFFFAOYSA-N
XLogP2.59
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylthiomorpholin-4-yl)quinoline-4-carbonitrile
CID 115658711
2-methyl-6-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 114765932
2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 104969574
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 114766561
2-(4-butan-2-ylpiperazin-1-yl)-6-methylpyridine-4-carbonitrile
CID 114766208
2-(3-formylpiperidin-1-yl)-6-methylpyridine-4-carbonitrile
CID 114770482
2-[1-(4-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl]acetic acid
CID 114765472
ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 107876946
2-methyl-6-(3-methylthiomorpholin-4-yl)pyridine-4-carbonitrile
CID 114766322
2-ethyl-4-(5-methylpyrimidin-2-yl)thiomorpholine
CID 133403626
2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 114766521
2-methyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 154757689

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylthiomorpholin-4-yl)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(2-ethylthiomorpholin-4-yl)-6-methylpyridine-4-carbonitrile (CID 114766685) is 2-(2-ethylthiomorpholin-4-yl)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-ethylthiomorpholin-4-yl)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(2-ethylthiomorpholin-4-yl)-6-methylpyridine-4-carbonitrile is CCC1CN(c2cc(C#N)cc(C)n2)CCS1.
What is the InChIKey of 2-(2-ethylthiomorpholin-4-yl)-6-methylpyridine-4-carbonitrile?
The InChIKey is TYIHEPKIETYJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-3-12-9-16(4-5-17-12)13-7-11(8-14)6-10(2)15-13/h6-7,12H,3-5,9H2,1-2H3.
What are the key properties of 2-(2-ethylthiomorpholin-4-yl)-6-methylpyridine-4-carbonitrile?
2-(2-ethylthiomorpholin-4-yl)-6-methylpyridine-4-carbonitrile has a molecular weight of 247.37 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylthiomorpholin-4-yl)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114766685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).