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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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).