2-(azetidin-3-yloxy)-3-methylsulfonylpyridine

C9H12N2O3S — CID 114599545

IUPAC2-(azetidin-3-yloxy)-3-methylsulfonylpyridine
SMILESCS(=O)(=O)c1cccnc1OC1CNC1
InChIInChI=1S/C9H12N2O3S/c1-15(12,13)8-3-2-4-11-9(8)14-7-5-10-6-7/h2-4,7,10H,5-6H2,1H3
InChIKeyRFFMYCUSCUCVQV-UHFFFAOYSA-N
MW228.27 g/mol
LogP-0.16
Rot. Bonds3

About 2-(azetidin-3-yloxy)-3-methylsulfonylpyridine

2-(azetidin-3-yloxy)-3-methylsulfonylpyridine (PubChem CID 114599545) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-(azetidin-3-yloxy)-3-methylsulfonylpyridine.

Molecular Properties

Compound Name2-(azetidin-3-yloxy)-3-methylsulfonylpyridine
PubChem CID114599545
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-(azetidin-3-yloxy)-3-methylsulfonylpyridine
SMILESCS(=O)(=O)c1cccnc1OC1CNC1
InChIInChI=1S/C9H12N2O3S/c1-15(12,13)8-3-2-4-11-9(8)14-7-5-10-6-7/h2-4,7,10H,5-6H2,1H3
InChIKeyRFFMYCUSCUCVQV-UHFFFAOYSA-N
XLogP-0.16
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yloxy)-3-methylsulfonylpyridine?
The IUPAC name of 2-(azetidin-3-yloxy)-3-methylsulfonylpyridine (CID 114599545) is 2-(azetidin-3-yloxy)-3-methylsulfonylpyridine.
What is the SMILES notation for 2-(azetidin-3-yloxy)-3-methylsulfonylpyridine?
The canonical SMILES for 2-(azetidin-3-yloxy)-3-methylsulfonylpyridine is CS(=O)(=O)c1cccnc1OC1CNC1.
What is the InChIKey of 2-(azetidin-3-yloxy)-3-methylsulfonylpyridine?
The InChIKey is RFFMYCUSCUCVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-15(12,13)8-3-2-4-11-9(8)14-7-5-10-6-7/h2-4,7,10H,5-6H2,1H3.
What are the key properties of 2-(azetidin-3-yloxy)-3-methylsulfonylpyridine?
2-(azetidin-3-yloxy)-3-methylsulfonylpyridine has a molecular weight of 228.27 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yloxy)-3-methylsulfonylpyridine is sourced from PubChem (CID 114599545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).