2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine

C14H16N2O2S — CID 43262702

IUPAC2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine
SMILESCCOc1nc(Sc2cccc(OC)c2)ccc1N
InChIInChI=1S/C14H16N2O2S/c1-3-18-14-12(15)7-8-13(16-14)19-11-6-4-5-10(9-11)17-2/h4-9H,3,15H2,1-2H3
InChIKeyZBNAGPJQAUFZRF-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.22
Rot. Bonds5

About 2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine

2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine (PubChem CID 43262702) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine
PubChem CID43262702
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine
SMILESCCOc1nc(Sc2cccc(OC)c2)ccc1N
InChIInChI=1S/C14H16N2O2S/c1-3-18-14-12(15)7-8-13(16-14)19-11-6-4-5-10(9-11)17-2/h4-9H,3,15H2,1-2H3
InChIKeyZBNAGPJQAUFZRF-UHFFFAOYSA-N
XLogP3.22
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine?
The IUPAC name of 2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine (CID 43262702) is 2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine.
What is the SMILES notation for 2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine?
The canonical SMILES for 2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine is CCOc1nc(Sc2cccc(OC)c2)ccc1N.
What is the InChIKey of 2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine?
The InChIKey is ZBNAGPJQAUFZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-18-14-12(15)7-8-13(16-14)19-11-6-4-5-10(9-11)17-2/h4-9H,3,15H2,1-2H3.
What are the key properties of 2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine?
2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine has a molecular weight of 276.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine is sourced from PubChem (CID 43262702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).