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

C12H19N3O3S2 — CID 66382975

IUPAC2-ethoxy-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine
SMILESCCOc1nc(N2CCSCC2S(C)(=O)=O)ccc1N
InChIInChI=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
InChIKeyNFHLRSBWQWGIFP-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.99
Rot. Bonds4

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 Name2-ethoxy-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine
PubChem CID66382975
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name2-ethoxy-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine
SMILESCCOc1nc(N2CCSCC2S(C)(=O)=O)ccc1N
InChIInChI=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
InChIKeyNFHLRSBWQWGIFP-UHFFFAOYSA-N
XLogP0.99
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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).