2-(1-benzylsulfonylazetidin-3-yl)oxy-6-methylpyridine

C16H18N2O3S — CID 122249741

IUPAC2-(1-benzylsulfonylazetidin-3-yl)oxy-6-methylpyridine
SMILESCc1cccc(OC2CN(S(=O)(=O)Cc3ccccc3)C2)n1
InChIInChI=1S/C16H18N2O3S/c1-13-6-5-9-16(17-13)21-15-10-18(11-15)22(19,20)12-14-7-3-2-4-8-14/h2-9,15H,10-12H2,1H3
InChIKeyAFIPPIMBALLWBE-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.98
Rot. Bonds5

About 2-(1-benzylsulfonylazetidin-3-yl)oxy-6-methylpyridine

2-(1-benzylsulfonylazetidin-3-yl)oxy-6-methylpyridine (PubChem CID 122249741) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(1-benzylsulfonylazetidin-3-yl)oxy-6-methylpyridine.

Molecular Properties

Compound Name2-(1-benzylsulfonylazetidin-3-yl)oxy-6-methylpyridine
PubChem CID122249741
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-(1-benzylsulfonylazetidin-3-yl)oxy-6-methylpyridine
SMILESCc1cccc(OC2CN(S(=O)(=O)Cc3ccccc3)C2)n1
InChIInChI=1S/C16H18N2O3S/c1-13-6-5-9-16(17-13)21-15-10-18(11-15)22(19,20)12-14-7-3-2-4-8-14/h2-9,15H,10-12H2,1H3
InChIKeyAFIPPIMBALLWBE-UHFFFAOYSA-N
XLogP1.98
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
CID 129416960
2-[1-[(3-methylphenyl)methylsulfonyl]azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252154
2-methyl-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxypyridine
CID 122249733
3-[2-(1-benzylsulfonylazetidin-3-yl)oxyphenyl]-5-methyl-1,2,4-oxadiazole
CID 91908831
3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide
CID 122249689
3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638513
2-methyl-6-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxypyridine
CID 129447780
N-(1-benzylsulfonylpiperidin-4-yl)-4,6-dimethylpyrimidin-2-amine
CID 133306595
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249452
1-benzylsulfonyl-3,5-dimethylpiperidine
CID 3113494
2-[1-(5-fluoro-2-methoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridine
CID 122249748
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one
CID 122249453

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylsulfonylazetidin-3-yl)oxy-6-methylpyridine?
The IUPAC name of 2-(1-benzylsulfonylazetidin-3-yl)oxy-6-methylpyridine (CID 122249741) is 2-(1-benzylsulfonylazetidin-3-yl)oxy-6-methylpyridine.
What is the SMILES notation for 2-(1-benzylsulfonylazetidin-3-yl)oxy-6-methylpyridine?
The canonical SMILES for 2-(1-benzylsulfonylazetidin-3-yl)oxy-6-methylpyridine is Cc1cccc(OC2CN(S(=O)(=O)Cc3ccccc3)C2)n1.
What is the InChIKey of 2-(1-benzylsulfonylazetidin-3-yl)oxy-6-methylpyridine?
The InChIKey is AFIPPIMBALLWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-13-6-5-9-16(17-13)21-15-10-18(11-15)22(19,20)12-14-7-3-2-4-8-14/h2-9,15H,10-12H2,1H3.
What are the key properties of 2-(1-benzylsulfonylazetidin-3-yl)oxy-6-methylpyridine?
2-(1-benzylsulfonylazetidin-3-yl)oxy-6-methylpyridine has a molecular weight of 318.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylsulfonylazetidin-3-yl)oxy-6-methylpyridine is sourced from PubChem (CID 122249741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).