Metabolite Taurinamide

Name
Taurinamide
Description
Not Available
Structure
3D
Similar Structures
Synonyms
Not Available
UNII
NTG0L34CGG
CAS number
Not Available
Weight
Average: 124.16
Monoisotopic: 124.03064868
Chemical Formula
C2H8N2O2S
InChI Key
MVQXBXLDXSQURK-UHFFFAOYSA-N
InChI
InChI=1S/C2H8N2O2S/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)
IUPAC Name
2-aminoethane-1-sulfonamide
SMILES
NCCS(N)(=O)=O
Reactions
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Human Metabolome Database
HMDB0245014
ChemSpider
91498
BindingDB
50508866
ChEMBL
CHEMBL4461091
ZINC
ZINC000005113724
Predicted Properties
PropertyValueSource
logP-2.2Chemaxon
pKa (Strongest Acidic)11.92Chemaxon
pKa (Strongest Basic)8.45Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area86.18 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity26.14 m3·mol-1Chemaxon
Polarizability11.31 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon