EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	OIK885PF5K
EPA CompTox	DTXSID3041879

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

OIK885PF5K

EPA CompTox

DTXSID3041879


InChI Key	YGNOYUCUPMACDT-UHFFFAOYSA-N
Smiles	CN(C)S(O)(=O)=O
InChI	InChI=1S/C2H7NO3S/c1-3(2)7(4,5)6/h1-2H3,(H,4,5,6)

InChI Key

YGNOYUCUPMACDT-UHFFFAOYSA-N

Smiles

CN(C)S(O)(=O)=O

InChI

InChI=1S/C2H7NO3S/c1-3(2)7(4,5)6/h1-2H3,(H,4,5,6)

Property Name	Value
Molecular Formula	C2H7N1O3S1
Molecular Weight	125.01
AlogP	-0.65
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	57.61
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C2H7N1O3S1

Molecular Weight

125.01

AlogP

-0.65

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

57.61

Heavy Atoms

7.0

Resources	Reference
CAS NUMBER	6623-40-1
NORMAN SUSDAT
FDA SRS	OIK885PF5K
PubChem	62615
ChemSpider	56373.0

Resources

Reference

CAS NUMBER

6623-40-1

NORMAN SUSDAT

FDA SRS

OIK885PF5K

PubChem

62615

ChemSpider

56373.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

DIMETHYLSULFAMIC ACID

Structure

Physicochemical Descriptors

Cross References