[2-(azepan-1-yl)-2-oxoethyl] n-methylsulfamate (CED0224127)

Record Information
Version1.0
Creation Date2026-08-25 14:58:47 UTC
Update Date2026-08-25 14:58:47 UTC
Accession NumberCHEM266405
Identification
Common Name[2-(azepan-1-yl)-2-oxoethyl] n-methylsulfamate
ClassSmall Molecule
Description
[2-(azepan-1-yl)-2-oxoethyl] n-methylsulfamate belongs to the azepanes, a class of organoheterocyclic compounds within the organic compounds. It has the chemical formula C9H18N2O4S and an average molecular weight of 250.32 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H18N2O4S
Average Molecular Mass250.320 g/mol
Monoisotopic Mass250.099 g/mol
CAS Registry Number51068-60-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C9H18N2O4S/c1-10-16(13,14)15-8-9(12)11-6-4-2-3-5-7-11/h10H,2-8H2,1H3
InChI KeyOTSYOPHQYHLKTK-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
1134.0Log mg/kg[640:2000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
10InsecticidesAgriculture & land managementNot Available
596AcaricidesAgriculture & land managementNot Available
600Herbicides And AlgicidesAgriculture & land managementNot Available
602MolluscicidesAgriculture & land managementNot Available
603NematocidesAgriculture & land managementNot Available
678Nitrogenous FertilisersAgriculture & land managementNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)517.542
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)848.012
Stromelysin-1 structureClick to view 3D structureStromelysin-1P08254HumansPredicted (SEA)700.643
Neutrophil collagenase structureClick to view 3D structureNeutrophil collagenaseP22894HumansPredicted (SEA)674.33
Click to view 3D structureAcetylcholinesteraseQ6A2E2Aedes aegyptiPredicted (SEA)142.853
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)1343.44
Click to view 3D structureRibonucleoside-diphosphate reductase large subunitP08543Herpes simplex virus (type 1 / strain 17)Predicted (SEA)34.0201
Monoglyceride lipase structureClick to view 3D structureMonoglyceride lipaseQ99685HumansPredicted (SEA)658.916
Transient receptor potential cation channel subfamily V member 3 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 3Q8K424Mus musculusPredicted (SEA)202.564
Click to view 3D structureLipoprotein lipaseQ06000Rattus norvegicusPredicted (SEA)174.227
Guanine nucleotide-binding protein G(i) subunit alpha-1 structureClick to view 3D structureGuanine nucleotide-binding protein G(i) subunit alpha-1P63096HumansPredicted (SEA)26.7023
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)6686.63
Disintegrin and metalloproteinase domain-containing protein 17 structureClick to view 3D structureDisintegrin and metalloproteinase domain-containing protein 17P78536HumansPredicted (SEA)1979.78
Matrilysin structureClick to view 3D structureMatrilysinP09237HumansPredicted (SEA)1635.53
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)3649.81
Click to view 3D structureTrypsin IIQ29463Bos taurusPredicted (SEA)496.211
Sodium channel protein type 7 subunit alpha structureClick to view 3D structureSodium channel protein type 7 subunit alphaQ01118HumansPredicted (SEA)413.457
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)6823.48
Mucolipin-3 structureClick to view 3D structureMucolipin-3Q8TDD5HumansPredicted (SEA)292.012
Metabotropic glutamate receptor 3 structureClick to view 3D structureMetabotropic glutamate receptor 3Q14832HumansPredicted (SEA)559.502
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)5533.76
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)3515.75
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)2270.71
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)3421.08
Diphosphomevalonate decarboxylase structureClick to view 3D structureDiphosphomevalonate decarboxylaseP53602HumansPredicted (SEA)20.7857
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available