2-Ammonioethanesulfonate

Details

• Internal ID: 5c06c4f6-3c68-4fa5-a65f-65fcc68e62a2
• Taxonomy: Organic acids and derivatives > Organic sulfonic acids and derivatives > Organosulfonic acids and derivatives > Organosulfonic acids
• IUPAC Name: 2-azaniumylethanesulfonate
• SMILES (Canonical): C(CS(=O)(=O)[O-])[NH3+]
• SMILES (Isomeric): C(CS(=O)(=O)[O-])[NH3+]
• InChI: InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
• InChI Key: XOAAWQZATWQOTB-UHFFFAOYSA-N
• Popularity: 273 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂H₇NO₃S
• Molecular Weight: 125.15 g/mol
• Exact Mass: 125.01466426 g/mol
• Topological Polar Surface Area (TPSA): 93.20 Ų
• XlogP: -4.20

Synonyms

• 2-amino-ethanesulfonic acid
• taurine zwitterion
• aminoetylsulphonic acid
• ethylaminesulphonic acid
• 2-azaniumylethane-1-sulfonate
• CHEBI:507393
• SBB061255
• AKOS025117017
• ST51047292
• InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL1952	P04818	Thymidylate synthase	83.31%	93.53%
CHEMBL255	P29275	Adenosine A2b receptor	82.61%	98.59%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.20%	95.56%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.52%	96.00%
CHEMBL2581	P07339	Cathepsin D	80.12%	98.95%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 4068592
• NPASS: NPC300059
• ChEMBL: CHEMBL239243