EcoDrugPlus


Synonyms	Aminoethylsulfonic acid Ethanesulfonic acid, 2-amino- FEMA NO. 3813 NSC-32428 O-due Taurate Taurine
Status
Molecule Category	Free-form
UNII	1EQV5MLY3D
EPA CompTox	DTXSID3021304

Synonyms

Aminoethylsulfonic acid

Ethanesulfonic acid, 2-amino-

FEMA NO. 3813

NSC-32428

O-due

Taurate

Taurine

Status

Molecule Category

Free-form

UNII

1EQV5MLY3D

EPA CompTox

DTXSID3021304


InChI Key	XOAAWQZATWQOTB-UHFFFAOYSA-N
Smiles	NCCS(=O)(=O)O
InChI	InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)

InChI Key

XOAAWQZATWQOTB-UHFFFAOYSA-N

Smiles

NCCS(=O)(=O)O

InChI

InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)

Property Name	Value
Molecular Formula	C2H7NO3S
Molecular Weight	125.15
AlogP	-1.17
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	80.39
Molecular species	ZWITTERION
Aromatic Rings	0.0
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C2H7NO3S

Molecular Weight

125.15

AlogP

-1.17

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

80.39

Molecular species

ZWITTERION

Aromatic Rings

0.0

Heavy Atoms

7.0

Resources	Reference
ChEBI	507393
ChEMBL	CHEMBL239243
DrugBank	DB01956
DrugCentral	4486
FDA SRS	1EQV5MLY3D
Human Metabolome Database	HMDB0000251
Guide to Pharmacology	2379
KEGG	C00245
PDB	TAU
PubChem	1123
SureChEMBL	SCHEMBL23068
ZINC	ZINC000003809490

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

HMDB0000251

Guide to Pharmacology

KEGG

PDB

PubChem

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

TAURINE

Structure

Physicochemical Descriptors

Cross References