2-ethoxy-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine

C₁₂H₁₉N₃O₃S₂ — CID 66382975

About 2-ethoxy-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine

2-ethoxy-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine (PubChem CID 66382975) has the molecular formula C₁₂H₁₉N₃O₃S₂ and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-ethoxy-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine.

Molecular Properties

• Compound Name: 2-ethoxy-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine
• PubChem CID: 66382975
• Molecular Formula: C₁₂H₁₉N₃O₃S₂
• Molecular Weight: 317.44 g/mol
• Exact Mass: 317.09
• IUPAC Name: 2-ethoxy-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine
• SMILES: CCOc1nc(N2CCSCC2S(C)(=O)=O)ccc1N
• InChI: InChI=1S/C12H19N3O3S2/c1-3-18-12-9(13)4-5-10(14-12)15-6-7-19-8-11(15)20(2,16)17/h4-5,11H,3,6-8,13H2,1-2H3
• InChIKey: NFHLRSBWQWGIFP-UHFFFAOYSA-N
• XLogP: 0.99
• TPSA: 85.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.44
LogP ≤ 5	0.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine?

The IUPAC name of 2-ethoxy-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine (CID 66382975) is 2-ethoxy-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine.

What is the SMILES notation for 2-ethoxy-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine?

The canonical SMILES for 2-ethoxy-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine is CCOc1nc(N2CCSCC2S(C)(=O)=O)ccc1N.

What is the InChIKey of 2-ethoxy-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine?

The InChIKey is NFHLRSBWQWGIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-3-18-12-9(13)4-5-10(14-12)15-6-7-19-8-11(15)20(2,16)17/h4-5,11H,3,6-8,13H2,1-2H3.

What are the key properties of 2-ethoxy-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine?

2-ethoxy-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine has a molecular weight of 317.44 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine is sourced from PubChem (CID 66382975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66382975 — identifiers, structure, computed properties (public domain)

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