6-ethylsulfonylpyridin-3-amine

C7H10N2O2S — CID 21487076

IUPAC6-ethylsulfonylpyridin-3-amine
SMILESCCS(=O)(=O)c1ccc(N)cn1
InChIInChI=1S/C7H10N2O2S/c1-2-12(10,11)7-4-3-6(8)5-9-7/h3-5H,2,8H2,1H3
InChIKeyLJJBTDYNAGYHRR-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.46
Rot. Bonds2

About 6-ethylsulfonylpyridin-3-amine

6-ethylsulfonylpyridin-3-amine (PubChem CID 21487076) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 6-ethylsulfonylpyridin-3-amine.

Molecular Properties

Compound Name6-ethylsulfonylpyridin-3-amine
PubChem CID21487076
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name6-ethylsulfonylpyridin-3-amine
SMILESCCS(=O)(=O)c1ccc(N)cn1
InChIInChI=1S/C7H10N2O2S/c1-2-12(10,11)7-4-3-6(8)5-9-7/h3-5H,2,8H2,1H3
InChIKeyLJJBTDYNAGYHRR-UHFFFAOYSA-N
XLogP0.46
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonylpyridin-3-amine?
The IUPAC name of 6-ethylsulfonylpyridin-3-amine (CID 21487076) is 6-ethylsulfonylpyridin-3-amine.
What is the SMILES notation for 6-ethylsulfonylpyridin-3-amine?
The canonical SMILES for 6-ethylsulfonylpyridin-3-amine is CCS(=O)(=O)c1ccc(N)cn1.
What is the InChIKey of 6-ethylsulfonylpyridin-3-amine?
The InChIKey is LJJBTDYNAGYHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-12(10,11)7-4-3-6(8)5-9-7/h3-5H,2,8H2,1H3.
What are the key properties of 6-ethylsulfonylpyridin-3-amine?
6-ethylsulfonylpyridin-3-amine has a molecular weight of 186.24 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonylpyridin-3-amine is sourced from PubChem (CID 21487076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).