2-(1-propylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile

C12H15N3O3S — CID 122249321

IUPAC2-(1-propylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile
SMILESCCCS(=O)(=O)N1CC(Oc2ncccc2C#N)C1
InChIInChI=1S/C12H15N3O3S/c1-2-6-19(16,17)15-8-11(9-15)18-12-10(7-13)4-3-5-14-12/h3-5,11H,2,6,8-9H2,1H3
InChIKeyNTPWSRZONWIAEZ-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.76
Rot. Bonds5

About 2-(1-propylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile

2-(1-propylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile (PubChem CID 122249321) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-(1-propylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1-propylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile
PubChem CID122249321
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-(1-propylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile
SMILESCCCS(=O)(=O)N1CC(Oc2ncccc2C#N)C1
InChIInChI=1S/C12H15N3O3S/c1-2-6-19(16,17)15-8-11(9-15)18-12-10(7-13)4-3-5-14-12/h3-5,11H,2,6,8-9H2,1H3
InChIKeyNTPWSRZONWIAEZ-UHFFFAOYSA-N
XLogP0.76
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile
CID 122249319
2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249356
ethyl 2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoacetate
CID 122249076
ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate
CID 122249189
N-[2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122249265
2-[1-(2-phenylbutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249169
2-[1-(4-chlorobutanoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249080
2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249102
2-[1-(4-tert-butylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249089
2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249084
2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carbonitrile
CID 117096423
3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 122249279

Frequently Asked Questions

What is the IUPAC name of 2-(1-propylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile?
The IUPAC name of 2-(1-propylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile (CID 122249321) is 2-(1-propylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-(1-propylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile?
The canonical SMILES for 2-(1-propylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile is CCCS(=O)(=O)N1CC(Oc2ncccc2C#N)C1.
What is the InChIKey of 2-(1-propylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile?
The InChIKey is NTPWSRZONWIAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-2-6-19(16,17)15-8-11(9-15)18-12-10(7-13)4-3-5-14-12/h3-5,11H,2,6,8-9H2,1H3.
What are the key properties of 2-(1-propylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile?
2-(1-propylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile has a molecular weight of 281.34 g/mol, XLogP of 0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile is sourced from PubChem (CID 122249321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).