4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one

C18H20N2O6S — CID 86265561

IUPAC4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc(=O)n1C
InChIInChI=1S/C18H20N2O6S/c1-12-7-13(8-18(21)19(12)2)26-14-10-20(11-14)27(22,23)15-3-4-16-17(9-15)25-6-5-24-16/h3-4,7-9,14H,5-6,10-11H2,1-2H3
InChIKeyMPHANQSGVYRINJ-UHFFFAOYSA-N
MW392.43 g/mol
LogP0.92
Rot. Bonds4

About 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one

4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one (PubChem CID 86265561) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
PubChem CID86265561
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc(=O)n1C
InChIInChI=1S/C18H20N2O6S/c1-12-7-13(8-18(21)19(12)2)26-14-10-20(11-14)27(22,23)15-3-4-16-17(9-15)25-6-5-24-16/h3-4,7-9,14H,5-6,10-11H2,1-2H3
InChIKeyMPHANQSGVYRINJ-UHFFFAOYSA-N
XLogP0.92
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one with MolForge

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Related Compounds

4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156421
4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265559
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenoxypiperidine
CID 110396758
4-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265671
4-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265539
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N,N-dimethylazetidin-3-amine
CID 154859885
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-amine
CID 63767552
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 122258128
3-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxypyridine
CID 122248138
3-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxy-6-methoxypyridazine
CID 100633882
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methylpiperidine
CID 3154533
4-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121182608

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one (CID 86265561) is 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one is Cc1cc(OC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc(=O)n1C.
What is the InChIKey of 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The InChIKey is MPHANQSGVYRINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-12-7-13(8-18(21)19(12)2)26-14-10-20(11-14)27(22,23)15-3-4-16-17(9-15)25-6-5-24-16/h3-4,7-9,14H,5-6,10-11H2,1-2H3.
What are the key properties of 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one has a molecular weight of 392.43 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 86265561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).