1-(2-decylsulfanylethyl)pyrrolidin-2-one (CED0255571)

Record Information
Version1.0
Creation Date2026-08-28 21:55:34 UTC
Update Date2026-08-28 21:55:34 UTC
Accession NumberCHEM300327
Identification
Common Name1-(2-decylsulfanylethyl)pyrrolidin-2-one
ClassSmall Molecule
Description
1-(2-decylsulfanylethyl)pyrrolidin-2-one belongs to the n-alkylpyrrolidines, a subclass of pyrrolidines within the organic compounds. This organoheterocyclic compound has the chemical formula C16H31NOS and an average molecular weight of 285.50 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC16H31NOS
Average Molecular MassNot Available
Monoisotopic Mass285.213 g/mol
CAS Registry Number113855-10-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCCCSCCN1CCCC1=O
InChI IdentifierInChI=1S/C16H31NOS/c1-2-3-4-5-6-7-8-9-14-19-15-13-17-12-10-11-16(17)18/h2-15H2,1H3
InChI KeyVDPRSOCKHVPZRS-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
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-01ow-9620000000-25749b3254febb1aeaa1Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
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
2198.0Log mg/kg[1200:3900]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)171.19
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)151.728
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)136.703
Cytosolic beta-glucosidase structureClick to view 3D structureCytosolic beta-glucosidaseQ9H227HumansPredicted (SEA)1.16774
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)187.928
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)153.285
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)29.427
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)4.35956
Click to view 3D structureMuscarinic acetylcholine receptor M1P08482Rattus norvegicusPredicted (SEA)75.903
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)2.17978
Click to view 3D structureMuscarinic acetylcholine receptor M2P10980Rattus norvegicusPredicted (SEA)89.1374
Click to view 3D structureCalpain-2 catalytic subunitP43367Sus scrofaPredicted (SEA)82.1309
Guanine nucleotide-binding protein G(i) subunit alpha-1 structureClick to view 3D structureGuanine nucleotide-binding protein G(i) subunit alpha-1P63096HumansPredicted (SEA)5.13805
Click to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)4.7488
Guanine nucleotide-binding protein G(o) subunit alpha structureClick to view 3D structureGuanine nucleotide-binding protein G(o) subunit alphaP09471HumansPredicted (SEA)1.94623
Click to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)4.43741
Click to view 3D structureMuscarinic acetylcholine receptor M1P12657Mus musculusPredicted (SEA)2.17978
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)719.56
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)31.2954
Click to view 3D structure3-keto-steroid reductase/17-beta-hydroxysteroid dehydrogenase 7P56937HumansPredicted (SEA)4.5931
G-protein coupled receptor 84 structureClick to view 3D structureG-protein coupled receptor 84Q9NQS5HumansPredicted (SEA)26.1573
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)2922.15
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)3337.79
Click to view 3D structureGalanin receptor type 3O60755HumansPredicted (SEA)38.3797
Click to view 3D structureTransient receptor potential cation channel subfamily V member 3Q8K424Mus musculusPredicted (SEA)154.92
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available