6-(4-methoxyphenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine

C16H20N2O2S — CID 43262736

IUPAC6-(4-methoxyphenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine
SMILESCOc1ccc(Sc2ccc(N)c(OCC(C)C)n2)cc1
InChIInChI=1S/C16H20N2O2S/c1-11(2)10-20-16-14(17)8-9-15(18-16)21-13-6-4-12(19-3)5-7-13/h4-9,11H,10,17H2,1-3H3
InChIKeyZPENBOQHBOXQFO-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.86
Rot. Bonds6

About 6-(4-methoxyphenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine

6-(4-methoxyphenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine (PubChem CID 43262736) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine
PubChem CID43262736
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name6-(4-methoxyphenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine
SMILESCOc1ccc(Sc2ccc(N)c(OCC(C)C)n2)cc1
InChIInChI=1S/C16H20N2O2S/c1-11(2)10-20-16-14(17)8-9-15(18-16)21-13-6-4-12(19-3)5-7-13/h4-9,11H,10,17H2,1-3H3
InChIKeyZPENBOQHBOXQFO-UHFFFAOYSA-N
XLogP3.86
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-bromophenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine
CID 63536884
2-(2-methylpropoxy)-6-pyrazin-2-ylsulfanylpyridin-3-amine
CID 63537558
2-methoxy-6-(4-propan-2-ylphenyl)sulfanylpyridin-3-amine
CID 43262707
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(2-methylpropoxy)pyridin-3-amine
CID 102924674
2-(2-methylpropoxy)-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-3-amine
CID 115382764
2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine
CID 43262702
6-(3-bromo-4-fluorophenoxy)-2-(2-methylpropoxy)pyridin-3-amine
CID 83233772
6-[(3-methylphenyl)methylsulfanyl]-2-(2-methylpropoxy)pyridin-3-amine
CID 63538558
6-(3,4-dimethylphenyl)sulfanyl-2-methoxypyridin-3-amine
CID 43262776
6-(3-bromophenoxy)-2-(2-methylpropoxy)pyridin-3-amine
CID 43262128
2-ethoxy-6-(3-methylbutylsulfanyl)pyridin-3-amine
CID 107748118
6-heptoxy-2-(2-methylpropoxy)pyridin-3-amine
CID 43262506

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine?
The IUPAC name of 6-(4-methoxyphenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine (CID 43262736) is 6-(4-methoxyphenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine?
The canonical SMILES for 6-(4-methoxyphenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine is COc1ccc(Sc2ccc(N)c(OCC(C)C)n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine?
The InChIKey is ZPENBOQHBOXQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11(2)10-20-16-14(17)8-9-15(18-16)21-13-6-4-12(19-3)5-7-13/h4-9,11H,10,17H2,1-3H3.
What are the key properties of 6-(4-methoxyphenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine?
6-(4-methoxyphenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine has a molecular weight of 304.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine is sourced from PubChem (CID 43262736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).