2,6-dimethyl-4-thiomorpholin-4-ylpyridine-3-carbonitrile;hydrochloride

C12H16ClN3S — CID 3058690

IUPAC2,6-dimethyl-4-thiomorpholin-4-ylpyridine-3-carbonitrile;hydrochloride
SMILESCc1cc(N2CCSCC2)c(C#N)c(C)n1.Cl
InChIInChI=1S/C12H15N3S.ClH/c1-9-7-12(11(8-13)10(2)14-9)15-3-5-16-6-4-15;/h7H,3-6H2,1-2H3;1H
InChIKeyWWUJQYDSWYBYJO-UHFFFAOYSA-N
MW269.80 g/mol
LogP2.55
Rot. Bonds1

About 2,6-dimethyl-4-thiomorpholin-4-ylpyridine-3-carbonitrile;hydrochloride

2,6-dimethyl-4-thiomorpholin-4-ylpyridine-3-carbonitrile;hydrochloride (PubChem CID 3058690) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is 2,6-dimethyl-4-thiomorpholin-4-ylpyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2,6-dimethyl-4-thiomorpholin-4-ylpyridine-3-carbonitrile;hydrochloride
PubChem CID3058690
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC Name2,6-dimethyl-4-thiomorpholin-4-ylpyridine-3-carbonitrile;hydrochloride
SMILESCc1cc(N2CCSCC2)c(C#N)c(C)n1.Cl
InChIInChI=1S/C12H15N3S.ClH/c1-9-7-12(11(8-13)10(2)14-9)15-3-5-16-6-4-15;/h7H,3-6H2,1-2H3;1H
InChIKeyWWUJQYDSWYBYJO-UHFFFAOYSA-N
XLogP2.55
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-thiomorpholin-4-ylpyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 2,6-dimethyl-4-thiomorpholin-4-ylpyridine-3-carbonitrile;hydrochloride (CID 3058690) is 2,6-dimethyl-4-thiomorpholin-4-ylpyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 2,6-dimethyl-4-thiomorpholin-4-ylpyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 2,6-dimethyl-4-thiomorpholin-4-ylpyridine-3-carbonitrile;hydrochloride is Cc1cc(N2CCSCC2)c(C#N)c(C)n1.Cl.
What is the InChIKey of 2,6-dimethyl-4-thiomorpholin-4-ylpyridine-3-carbonitrile;hydrochloride?
The InChIKey is WWUJQYDSWYBYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S.ClH/c1-9-7-12(11(8-13)10(2)14-9)15-3-5-16-6-4-15;/h7H,3-6H2,1-2H3;1H.
What are the key properties of 2,6-dimethyl-4-thiomorpholin-4-ylpyridine-3-carbonitrile;hydrochloride?
2,6-dimethyl-4-thiomorpholin-4-ylpyridine-3-carbonitrile;hydrochloride has a molecular weight of 269.80 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-thiomorpholin-4-ylpyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 3058690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).