EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	UH49VX43K7
EPA CompTox	DTXSID3074735

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

UH49VX43K7

EPA CompTox

DTXSID3074735


InChI Key	QMHAHUAQAJVBIW-UHFFFAOYSA-N
Smiles	S(=O)(=O)(N)N(C)C
InChI	InChI=1S/C2H8N2O2S/c1-4(2)7(3,5)6/h1-2H3,(H2,3,5,6)

InChI Key

QMHAHUAQAJVBIW-UHFFFAOYSA-N

Smiles

S(=O)(=O)(N)N(C)C

InChI

InChI=1S/C2H8N2O2S/c1-4(2)7(3,5)6/h1-2H3,(H2,3,5,6)

Property Name	Value
Molecular Formula	C2H8N2O2S1
Molecular Weight	124.03
AlogP	-1.25
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	63.4
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C2H8N2O2S1

Molecular Weight

124.03

AlogP

-1.25

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

63.4

Heavy Atoms

7.0

Resources	Reference
CAS NUMBER	3984-14-3
NORMAN SUSDAT
FDA SRS	UH49VX43K7
PubChem	134472
ChemSpider	118532.0

Resources

Reference

CAS NUMBER

3984-14-3

NORMAN SUSDAT

FDA SRS

UH49VX43K7

PubChem

134472

ChemSpider

118532.0

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

SULFAMIDE, N,N-DIMETHYL-

Structure

Physicochemical Descriptors

Cross References