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Ammonium sulfamate

Odors

No information available

Receptor Interaction

No receptors available
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2D Structure
3D Conformer
image of chemical
 

General Information

Common Name: Ammonium sulfamate
IUPAC Name: azanium;sulfamate
Molecular Formula: H3NO3S
SMILES: [NH4+].NS(=O)(=O)[O-]
Inchi: 1S/H3NO3S.H3N/c1-5(2,3)4;/h(H3,1,2,3,4);1H3
Inchi Key: GEHMBYLTCISYNY-UHFFFAOYSA-N
Cas No: 7773-06-0

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 2
Veber Violations 0
Egan Violations 0
Muegge Violations 2

Cross References

PubChem: 24482
Zinc: ZINC238809066
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 114.12
Mass (g/mol) 114.01
Molar Refractivity 19.49
Net Charge -1
HBD 5
HBA 6
Rt Bonds 0
Rings
TPSA 91.60
Hetero Atoms 5
Heavy Atoms 6
Aromatic Heavy Atoms 0
Melting Point (°C) 131.00 to 135.00
Boiling Point (°C@760.00mm Hg) 160.00 
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 1.00
LogP -1.252
iLOGP 0.52
XLOGP3 -2.84
WLOGP -3.22
MLOGP -2.75
ESOL Log S 0.90
ESOL Solubility (mg/ml) 1430
ESOL Solubility (mol/l) 7.91
ESOL Class: esol_class Highly soluble
Ali Log S 1.08
Ali Solubility (mg/ml) 2160
Ali Solubility (mol/l) 12
Ali Class Highly soluble
Silicos-IT LogSw 2.17
Silicos-IT Solubility (mg/ml) 26300
Silicos-IT Solubility (mol/l) 146
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -9.42
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 0
Plasm Protein Binding 0.366
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 2.864
Carcinogenicity (Binary) 0
Carcinogenicity (Trinary) Non-required
Eye Irritation 1
Hepatotoxicity 0
Androgen Receptor Binding 0
Aromatase Binding 0
Estrogen Receptor Binding 0
Glucocorticoid Receptor Binding 0
Thyroid Receptor Binding 0
BRCP inhibitor 0
BSEP inhibitor 0
OATP1B1 inhibitor 1
OATP1B3 inhibitor 1
OATP2B1 inhibitor 0
OCT1 inhibitor 0
OCT2 inhibitor 0