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 Name | 2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine |
| PubChem CID | 43262702 |
| Molecular Formula | C14H16N2O2S |
| Molecular Weight | 276.36 g/mol |
| Exact Mass | 276.09 |
| IUPAC Name | 2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine |
| SMILES | CCOc1nc(Sc2cccc(OC)c2)ccc1N |
| InChI | 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 |
| InChIKey | ZBNAGPJQAUFZRF-UHFFFAOYSA-N |
| XLogP | 3.22 |
| TPSA | 57.37 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 276.36 |
| LogP ≤ 5 | 3.22 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
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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).