acesulfame   Click here for help

GtoPdb Ligand ID: 12460

Synonyms: acetosulfam
PDB Ligand
Compound class: Synthetic organic
Comment: Acesulfame is used as a sweetening agent. Acesulfame K is the potassium salt.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 80.85
Molecular weight 163.15
XLogP -1.51
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC1=CC(=O)NS(=O)(=O)O1
Isomeric SMILES CC1=CC(=O)NS(=O)(=O)O1
InChI InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)
InChI Key YGCFIWIQZPHFLU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-methyl-2,2-dioxooxathiazin-4-one
International Nonproprietary Names Click here for help
INN number INN
3768 acesulfame
Synonyms Click here for help
acetosulfam
Database Links Click here for help
Specialist databases
GPCRdb Ligand acesulfame
Other databases
BindingDB Ligand 50367132
CAS Registry No. 33665-90-6 (source: PubChem)
ChEBI CHEBI:83501
ChEMBL Ligand CHEMBL176687
GtoPdb PubChem SID 479821250
PubChem CID 36573
RCSB PDB Ligand AUD
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UniChem Compound Search for chemical match using the InChIKey YGCFIWIQZPHFLU-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey YGCFIWIQZPHFLU-UHFFFAOYSA-N