4-(1-butylsulfonylazetidin-3-yl)oxy-1-cyclopropyl-6-methylpyridin-2-one

C16H24N2O4S — CID 121156106

IUPAC4-(1-butylsulfonylazetidin-3-yl)oxy-1-cyclopropyl-6-methylpyridin-2-one
SMILESCCCCS(=O)(=O)N1CC(Oc2cc(C)n(C3CC3)c(=O)c2)C1
InChIInChI=1S/C16H24N2O4S/c1-3-4-7-23(20,21)17-10-15(11-17)22-14-8-12(2)18(13-5-6-13)16(19)9-14/h8-9,13,15H,3-7,10-11H2,1-2H3
InChIKeyBKVDCVSOBYCPJN-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.68
Rot. Bonds7

About 4-(1-butylsulfonylazetidin-3-yl)oxy-1-cyclopropyl-6-methylpyridin-2-one

4-(1-butylsulfonylazetidin-3-yl)oxy-1-cyclopropyl-6-methylpyridin-2-one (PubChem CID 121156106) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-(1-butylsulfonylazetidin-3-yl)oxy-1-cyclopropyl-6-methylpyridin-2-one.

Molecular Properties

Compound Name4-(1-butylsulfonylazetidin-3-yl)oxy-1-cyclopropyl-6-methylpyridin-2-one
PubChem CID121156106
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name4-(1-butylsulfonylazetidin-3-yl)oxy-1-cyclopropyl-6-methylpyridin-2-one
SMILESCCCCS(=O)(=O)N1CC(Oc2cc(C)n(C3CC3)c(=O)c2)C1
InChIInChI=1S/C16H24N2O4S/c1-3-4-7-23(20,21)17-10-15(11-17)22-14-8-12(2)18(13-5-6-13)16(19)9-14/h8-9,13,15H,3-7,10-11H2,1-2H3
InChIKeyBKVDCVSOBYCPJN-UHFFFAOYSA-N
XLogP1.68
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-6-methyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxypyridin-2-one
CID 121156144
1-cyclopropyl-4-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121156132
1-cyclopropyl-4-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121156120
2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzonitrile
CID 91814936
4-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155867
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-methoxyethyl)azetidine-1-carboxamide
CID 121156082
4-[1-(1-acetylpiperidine-4-carbonyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155982
1-cyclopropyl-4-[1-(2-ethoxybenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155831
1-cyclopropyl-6-methyl-4-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridin-2-one
CID 91814866
4-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155854
1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 91814906
1-cyclopropyl-4-[1-(3,4-difluorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155821

Frequently Asked Questions

What is the IUPAC name of 4-(1-butylsulfonylazetidin-3-yl)oxy-1-cyclopropyl-6-methylpyridin-2-one?
The IUPAC name of 4-(1-butylsulfonylazetidin-3-yl)oxy-1-cyclopropyl-6-methylpyridin-2-one (CID 121156106) is 4-(1-butylsulfonylazetidin-3-yl)oxy-1-cyclopropyl-6-methylpyridin-2-one.
What is the SMILES notation for 4-(1-butylsulfonylazetidin-3-yl)oxy-1-cyclopropyl-6-methylpyridin-2-one?
The canonical SMILES for 4-(1-butylsulfonylazetidin-3-yl)oxy-1-cyclopropyl-6-methylpyridin-2-one is CCCCS(=O)(=O)N1CC(Oc2cc(C)n(C3CC3)c(=O)c2)C1.
What is the InChIKey of 4-(1-butylsulfonylazetidin-3-yl)oxy-1-cyclopropyl-6-methylpyridin-2-one?
The InChIKey is BKVDCVSOBYCPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-4-7-23(20,21)17-10-15(11-17)22-14-8-12(2)18(13-5-6-13)16(19)9-14/h8-9,13,15H,3-7,10-11H2,1-2H3.
What are the key properties of 4-(1-butylsulfonylazetidin-3-yl)oxy-1-cyclopropyl-6-methylpyridin-2-one?
4-(1-butylsulfonylazetidin-3-yl)oxy-1-cyclopropyl-6-methylpyridin-2-one has a molecular weight of 340.45 g/mol, XLogP of 1.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butylsulfonylazetidin-3-yl)oxy-1-cyclopropyl-6-methylpyridin-2-one is sourced from PubChem (CID 121156106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).