2-cyclobutylsulfanyl-4,6-dimethylpyridine

C11H15NS — CID 126993437

IUPAC2-cyclobutylsulfanyl-4,6-dimethylpyridine
SMILESCc1cc(C)nc(SC2CCC2)c1
InChIInChI=1S/C11H15NS/c1-8-6-9(2)12-11(7-8)13-10-4-3-5-10/h6-7,10H,3-5H2,1-2H3
InChIKeyDUQLKILJROJFLT-UHFFFAOYSA-N
MW193.31 g/mol
LogP3.34
Rot. Bonds2

About 2-cyclobutylsulfanyl-4,6-dimethylpyridine

2-cyclobutylsulfanyl-4,6-dimethylpyridine (PubChem CID 126993437) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-cyclobutylsulfanyl-4,6-dimethylpyridine.

Molecular Properties

Compound Name2-cyclobutylsulfanyl-4,6-dimethylpyridine
PubChem CID126993437
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name2-cyclobutylsulfanyl-4,6-dimethylpyridine
SMILESCc1cc(C)nc(SC2CCC2)c1
InChIInChI=1S/C11H15NS/c1-8-6-9(2)12-11(7-8)13-10-4-3-5-10/h6-7,10H,3-5H2,1-2H3
InChIKeyDUQLKILJROJFLT-UHFFFAOYSA-N
XLogP3.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-6-piperidin-4-ylsulfanylpyridine
CID 102925601
2,4-dimethyl-6-pyrrolidin-3-ylsulfanylpyridine
CID 102925592
4-cyclohexylsulfanyl-2-fluoro-6-methylpyrimidine
CID 164645833
3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide
CID 102925709
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
4-chloro-2-methyl-6-(3-methylcyclohexyl)sulfanylpyrimidine
CID 62722977
N-(cyclohexylmethyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102925969
2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-4,6-dimethylpyridine
CID 102925442
1-cyclopropyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine
CID 102926585
sulfane;2,4,6-trimethylpyridine
CID 69294176
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-2-methylcyclohexan-1-amine
CID 102925905

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylsulfanyl-4,6-dimethylpyridine?
The IUPAC name of 2-cyclobutylsulfanyl-4,6-dimethylpyridine (CID 126993437) is 2-cyclobutylsulfanyl-4,6-dimethylpyridine.
What is the SMILES notation for 2-cyclobutylsulfanyl-4,6-dimethylpyridine?
The canonical SMILES for 2-cyclobutylsulfanyl-4,6-dimethylpyridine is Cc1cc(C)nc(SC2CCC2)c1.
What is the InChIKey of 2-cyclobutylsulfanyl-4,6-dimethylpyridine?
The InChIKey is DUQLKILJROJFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-8-6-9(2)12-11(7-8)13-10-4-3-5-10/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 2-cyclobutylsulfanyl-4,6-dimethylpyridine?
2-cyclobutylsulfanyl-4,6-dimethylpyridine has a molecular weight of 193.31 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylsulfanyl-4,6-dimethylpyridine is sourced from PubChem (CID 126993437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).