4-methylsulfonylpyridin-3-amine

C6H8N2O2S — CID 28889956

IUPAC4-methylsulfonylpyridin-3-amine
SMILESCS(=O)(=O)c1ccncc1N
InChIInChI=1S/C6H8N2O2S/c1-11(9,10)6-2-3-8-4-5(6)7/h2-4H,7H2,1H3
InChIKeyXVIIWSOOMCGMOG-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.07
Rot. Bonds1

About 4-methylsulfonylpyridin-3-amine

4-methylsulfonylpyridin-3-amine (PubChem CID 28889956) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 4-methylsulfonylpyridin-3-amine.

Molecular Properties

Compound Name4-methylsulfonylpyridin-3-amine
PubChem CID28889956
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name4-methylsulfonylpyridin-3-amine
SMILESCS(=O)(=O)c1ccncc1N
InChIInChI=1S/C6H8N2O2S/c1-11(9,10)6-2-3-8-4-5(6)7/h2-4H,7H2,1H3
InChIKeyXVIIWSOOMCGMOG-UHFFFAOYSA-N
XLogP0.07
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylpyridin-3-amine?
The IUPAC name of 4-methylsulfonylpyridin-3-amine (CID 28889956) is 4-methylsulfonylpyridin-3-amine.
What is the SMILES notation for 4-methylsulfonylpyridin-3-amine?
The canonical SMILES for 4-methylsulfonylpyridin-3-amine is CS(=O)(=O)c1ccncc1N.
What is the InChIKey of 4-methylsulfonylpyridin-3-amine?
The InChIKey is XVIIWSOOMCGMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-11(9,10)6-2-3-8-4-5(6)7/h2-4H,7H2,1H3.
What are the key properties of 4-methylsulfonylpyridin-3-amine?
4-methylsulfonylpyridin-3-amine has a molecular weight of 172.21 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylpyridin-3-amine is sourced from PubChem (CID 28889956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).