2,4-dimethyl-6-piperidin-4-ylsulfanylpyridine

C12H18N2S — CID 102925601

IUPAC2,4-dimethyl-6-piperidin-4-ylsulfanylpyridine
SMILESCc1cc(C)nc(SC2CCNCC2)c1
InChIInChI=1S/C12H18N2S/c1-9-7-10(2)14-12(8-9)15-11-3-5-13-6-4-11/h7-8,11,13H,3-6H2,1-2H3
InChIKeyVWJKMUHVCVLQML-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.54
Rot. Bonds2

About 2,4-dimethyl-6-piperidin-4-ylsulfanylpyridine

2,4-dimethyl-6-piperidin-4-ylsulfanylpyridine (PubChem CID 102925601) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 2,4-dimethyl-6-piperidin-4-ylsulfanylpyridine.

Molecular Properties

Compound Name2,4-dimethyl-6-piperidin-4-ylsulfanylpyridine
PubChem CID102925601
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name2,4-dimethyl-6-piperidin-4-ylsulfanylpyridine
SMILESCc1cc(C)nc(SC2CCNCC2)c1
InChIInChI=1S/C12H18N2S/c1-9-7-10(2)14-12(8-9)15-11-3-5-13-6-4-11/h7-8,11,13H,3-6H2,1-2H3
InChIKeyVWJKMUHVCVLQML-UHFFFAOYSA-N
XLogP2.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine
CID 102925592
2-cyclobutylsulfanyl-4,6-dimethylpyridine
CID 126993437
4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride
CID 71638426
4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 62328980
4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride
CID 71639006
4-chloro-6-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 71639266
2-(azepan-4-ylsulfanyl)-4-methyl-1,3-oxazole
CID 130490292
2,6-dimethyl-4-piperidin-4-ylpyridine
CID 82403777
N-(4,6-dimethyl-2-pyridinyl)piperidine-4-carboxamide
CID 115976769
2-methyl-5-piperidin-4-ylsulfanylpyridine
CID 166120275
3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 102925791
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
CID 102926543

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-piperidin-4-ylsulfanylpyridine?
The IUPAC name of 2,4-dimethyl-6-piperidin-4-ylsulfanylpyridine (CID 102925601) is 2,4-dimethyl-6-piperidin-4-ylsulfanylpyridine.
What is the SMILES notation for 2,4-dimethyl-6-piperidin-4-ylsulfanylpyridine?
The canonical SMILES for 2,4-dimethyl-6-piperidin-4-ylsulfanylpyridine is Cc1cc(C)nc(SC2CCNCC2)c1.
What is the InChIKey of 2,4-dimethyl-6-piperidin-4-ylsulfanylpyridine?
The InChIKey is VWJKMUHVCVLQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-9-7-10(2)14-12(8-9)15-11-3-5-13-6-4-11/h7-8,11,13H,3-6H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-piperidin-4-ylsulfanylpyridine?
2,4-dimethyl-6-piperidin-4-ylsulfanylpyridine has a molecular weight of 222.36 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-piperidin-4-ylsulfanylpyridine is sourced from PubChem (CID 102925601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).