[4-(dimethylamino)phenyl]iminosulfamic acid (CED0210243)

Record Information
Version1.0
Creation Date2026-08-24 12:18:42 UTC
Update Date2026-08-24 12:18:42 UTC
SynCED IDCED0210243
Secondary Accession Numbers
  • CHEM249223
Identification
Common Name[4-(dimethylamino)phenyl]iminosulfamic acid
ClassSmall Molecule
Description
[4-(dimethylamino)phenyl]iminosulfamic acid is an organic compound with the formula C8H11N3O3S and an average molecular weight of 229.26 g/mol. [4-(dimethylamino)phenyl]iminosulfamic acid belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This substance is found in or released from two recorded sources: food, food processing & cookware (specifically the preparation of malt) and electrical & electronic equipment (specifically conductors or conductive bodies characterised by the conductive materials).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H11N3O3S
Average Molecular Mass229.260 g/mol
Monoisotopic Mass229.052 g/mol
CAS Registry Number150-70-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C8H11N3O3S/c1-11(2)8-5-3-7(4-6-8)9-10-15(12,13)14/h3-6H,1-2H3,(H,12,13,14)
InChI KeyFLTYACUMGDVPLP-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
209.0 Log mg/kg [120:370]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000547Preparation Of Malt?Malt preparation involves the germination and drying of cereal grains, primarily barley, to produce malt for brewing and food products.Food, food processing & cookwarePubChem
CEDs000583Anchoring Equipment?Anchoring equipment, commonly used in marine applications, can be a source of synthetic chemical contamination due to the materials and coatings utilized in their manufacturing.Marine, shipping & aquaculturePubChem
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementPubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.559
Statistical Significance
0.0167
Supporting Reference Compounds
372
E-value
130.008
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.559
Statistical Significance
0.015
Supporting Reference Compounds
332
E-value
116.852
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.334
Applicability Domain
0.559
Statistical Significance
0.0227
Supporting Reference Compounds
472
E-value
176.796
Beta-carbonic anhydrase 1 structureClick to view 3D structureBeta-carbonic anhydrase 1P9WPJ7Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.559
Statistical Significance
0.0049
Supporting Reference Compounds
55
E-value
37.9904
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.298 Low confidence
Statistical Significance
0.0984
Supporting Reference Compounds
553
E-value
766.27
Deoxyribonuclease-1 structureClick to view 3D structureDeoxyribonuclease-1P24855HumansPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.286 Low confidence
Statistical Significance
6.00e-05
Supporting Reference Compounds
1
E-value
0.467095
Click to view 3D structurePatatin-like phospholipase domain-containing protein 2Q8BJ56Mus musculusPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.283 Low confidence
Statistical Significance
0.0028
Supporting Reference Compounds
2
E-value
21.6421
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.298 Low confidence
Statistical Significance
0.1742
Supporting Reference Compounds
497
E-value
1356.52
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.298 Low confidence
Statistical Significance
0.0575
Supporting Reference Compounds
241
E-value
447.944
Click to view 3D structureNonstructural protein 1Q194T2Influenza A virusPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.295 Low confidence
Statistical Significance
0.0143
Supporting Reference Compounds
104
E-value
111.636
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.333
Statistical Significance
0.0651
Supporting Reference Compounds
118
E-value
506.876
Histone deacetylase 2 structureClick to view 3D structureHistone deacetylase 2Q92769HumansPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.298 Low confidence
Statistical Significance
0.175
Supporting Reference Compounds
307
E-value
1362.21
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)
Prediction Confidence Score
0.243
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0519
Supporting Reference Compounds
109
E-value
403.726
Click to view 3D structurePROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)P96878Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.241
Applicability Domain
0.314
Statistical Significance
0.024
Supporting Reference Compounds
38
E-value
186.916
Luciferin 4-monooxygenase structureClick to view 3D structureLuciferin 4-monooxygenaseP08659Photinus pyralisPredicted (SEA)
Prediction Confidence Score
0.24
Applicability Domain
0.261 Low confidence
Statistical Significance
0.0926
Supporting Reference Compounds
114
E-value
720.572
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.239
Applicability Domain
0.326
Statistical Significance
0.1519
Supporting Reference Compounds
296
E-value
1182.45
Click to view 3D structurePolyamine deacetylase HDAC10Q969S8HumansPredicted (SEA)
Prediction Confidence Score
0.239
Applicability Domain
0.298 Low confidence
Statistical Significance
0.1078
Supporting Reference Compounds
130
E-value
839.37
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.236
Applicability Domain
0.298 Low confidence
Statistical Significance
0.1166
Supporting Reference Compounds
205
E-value
908.111
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)
Prediction Confidence Score
0.232
Applicability Domain
0.298 Low confidence
Statistical Significance
0.2282
Supporting Reference Compounds
315
E-value
1776.91
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.232
Applicability Domain
0.286 Low confidence
Statistical Significance
0.2869
Supporting Reference Compounds
406
E-value
2233.49
Click to view 3D structureDickkopf-related protein 1O54908Mus musculusPredicted (SEA)
Prediction Confidence Score
0.228
Applicability Domain
0.228 Low confidence
Statistical Significance
0.0012
Supporting Reference Compounds
1
E-value
9.73115
Tyrosine-protein kinase Fyn structureClick to view 3D structureTyrosine-protein kinase FynP06241HumansPredicted (SEA)
Prediction Confidence Score
0.225
Applicability Domain
0.286 Low confidence
Statistical Significance
0.563
Supporting Reference Compounds
707
E-value
4382.83
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)
Prediction Confidence Score
0.224
Applicability Domain
0.317
Statistical Significance
0.6471
Supporting Reference Compounds
1022
E-value
5037.78
Platelet-derived growth factor receptor beta structureClick to view 3D structurePlatelet-derived growth factor receptor betaP09619HumansPredicted (SEA)
Prediction Confidence Score
0.222
Applicability Domain
0.25 Low confidence
Statistical Significance
0.5338
Supporting Reference Compounds
597
E-value
4155.36
Microtubule-associated protein tau structureClick to view 3D structureMicrotubule-associated protein tauP10636HumansPredicted (SEA)
Prediction Confidence Score
0.22
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0274
Supporting Reference Compounds
26
E-value
213.54
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available