Isopropylsulphamic acid (CED0000195)

Record Information
Version1.0
Creation Date2026-04-05 03:04:09 UTC
Update Date2026-08-22 13:53:50 UTC
Accession NumberCHEM090796
Identification
Common NameIsopropylsulphamic acid
ClassSmall Molecule
Description
Isopropylsulphamic acid belongs to the sulfuric acid monoamides, a subclass of organic sulfuric acids and derivatives within the organic compounds. It has the chemical formula C3H9NO3S and an average molecular weight of 139.17 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC3H9NO3S
Average Molecular Mass139.170 g/mol
Monoisotopic Mass139.030 g/mol
CAS Registry Number42065-76-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)NS(O)(=O)=O
InChI IdentifierInChI=1/C3H9NO3S/c1-3(2)4-8(5,6)7/h3-4H,1-2H3,(H,5,6,7)
InChI KeyJWQSOOZHYMZRBT-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
1644.0Log mg/kg[920:2900]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)2730.56
Stromelysin-1 structureClick to view 3D structureStromelysin-1P08254HumansPredicted (SEA)2452.09
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)2776.34
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)4150.22
Click to view 3D structureLow molecular weight phosphotyrosine protein phosphataseQ9D358Mus musculusPredicted (SEA)41.805
Click to view 3D structureLow molecular weight phosphotyrosine protein phosphataseP41498Rattus norvegicusPredicted (SEA)41.805
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)4035.08
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)2895.37
Click to view 3D structureAspartate-semialdehyde dehydrogenaseO25801Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)10.2761
Neutrophil collagenase structureClick to view 3D structureNeutrophil collagenaseP22894HumansPredicted (SEA)3839.13
Matrilysin structureClick to view 3D structureMatrilysinP09237HumansPredicted (SEA)3794.14
Matrix metalloproteinase-14 structureClick to view 3D structureMatrix metalloproteinase-14P50281HumansPredicted (SEA)4816.69
Click to view 3D structureBeta-2 adrenergic receptorQ28044Bos taurusPredicted (SEA)119.732
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)4493.92
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)3980.35
Receptor-type tyrosine-protein phosphatase beta structureClick to view 3D structureReceptor-type tyrosine-protein phosphatase betaP23467HumansPredicted (SEA)926.25
Beta-2 adrenergic receptor structureClick to view 3D structureBeta-2 adrenergic receptorP07550HumansPredicted (SEA)6732.48
Click to view 3D structureBeta-2 adrenergic receptorP54833Canis lupus familiarisPredicted (SEA)1020.29
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)4709.49
Click to view 3D structureLeucine--tRNA ligaseQ2FXH2Staphylococcus aureus (strain NCTC 8325)Predicted (SEA)1119.55
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)1458.04
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)1799.72
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)2440.11
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)2709.93
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)2977.27
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available