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Sulfamic acid

Odors

No information available

Receptor Interaction

No receptors available
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2D Structure
3D Conformer
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General Information

Common Name: Sulfamic acid
IUPAC Name: sulfamic acid
Molecular Formula: H3NO3S
SMILES: NS(=O)(=O)O
Inchi: 1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
Inchi Key: IIACRCGMVDHOTQ-UHFFFAOYSA-N
Cas No: 5329-14-6

Functional Group

Drug Likeness

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

Cross References

PubChem: 5987
Zinc: ZINC238809066
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 97.09
Mass (g/mol) 96.983
Molar Refractivity 15.36
Net Charge -1
HBD 1
HBA 3
Rt Bonds 0
Rings
TPSA 88.77
Hetero Atoms 5
Heavy Atoms 5
Aromatic Heavy Atoms 0
Melting Point (°C) 205
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.53
LogP -1.252
iLOGP 2.72
XLOGP3 1.58
WLOGP 1.01
MLOGP 2.04
ESOL Log S -2.57
ESOL Solubility (mg/ml) 0.747
ESOL Solubility (mol/l) 0.003
ESOL Class: esol_class Soluble
Ali Log S -2.13
Ali Solubility (mg/ml) 2.03
Ali Solubility (mol/l) 0.01
Ali Class Soluble
Silicos-IT LogSw -3.22
Silicos-IT Solubility (mg/ml) 0.17
Silicos-IT Solubility (mol/l) 0
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 1
PgP Substrate 1
Log Kp (cm/s) -6.86
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 1
Plasm Protein Binding 0.386
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 1
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 1.789
Carcinogenicity (Binary) 1
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