2-(1-ethylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile

C11H13N3O3S — CID 122252600

IUPAC2-(1-ethylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile
SMILESCCS(=O)(=O)N1CC(Oc2cc(C#N)ccn2)C1
InChIInChI=1S/C11H13N3O3S/c1-2-18(15,16)14-7-10(8-14)17-11-5-9(6-12)3-4-13-11/h3-5,10H,2,7-8H2,1H3
InChIKeyVEPATJXPUQIPLD-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.37
Rot. Bonds4

About 2-(1-ethylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile

2-(1-ethylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile (PubChem CID 122252600) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-(1-ethylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(1-ethylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile
PubChem CID122252600
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name2-(1-ethylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile
SMILESCCS(=O)(=O)N1CC(Oc2cc(C#N)ccn2)C1
InChIInChI=1S/C11H13N3O3S/c1-2-18(15,16)14-7-10(8-14)17-11-5-9(6-12)3-4-13-11/h3-5,10H,2,7-8H2,1H3
InChIKeyVEPATJXPUQIPLD-UHFFFAOYSA-N
XLogP0.37
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-ethylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile?
The IUPAC name of 2-(1-ethylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile (CID 122252600) is 2-(1-ethylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-(1-ethylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile?
The canonical SMILES for 2-(1-ethylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile is CCS(=O)(=O)N1CC(Oc2cc(C#N)ccn2)C1.
What is the InChIKey of 2-(1-ethylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile?
The InChIKey is VEPATJXPUQIPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-2-18(15,16)14-7-10(8-14)17-11-5-9(6-12)3-4-13-11/h3-5,10H,2,7-8H2,1H3.
What are the key properties of 2-(1-ethylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile?
2-(1-ethylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile has a molecular weight of 267.31 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylazetidin-3-yl)oxypyridine-4-carbonitrile is sourced from PubChem (CID 122252600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).