EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID40659879

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID40659879


InChI Key	ZAHOEBNYVSWBBW-UHFFFAOYSA-N
Smiles	CC1(C)C2CCC11CS(=O)(=O)N=C1C2
InChI	InChI=1S/C10H15NO2S/c1-9(2)7-3-4-10(9)6-14(12,13)11-8(10)5-7/h7H,3-6H2,1-2H3

InChI Key

ZAHOEBNYVSWBBW-UHFFFAOYSA-N

Smiles

CC1(C)C2CCC11CS(=O)(=O)N=C1C2

InChI

InChI=1S/C10H15NO2S/c1-9(2)7-3-4-10(9)6-14(12,13)11-8(10)5-7/h7H,3-6H2,1-2H3

Property Name	Value
Molecular Formula	C10H15N1O2S1
Molecular Weight	213.08
AlogP	1.6
Hydrogen Bond Acceptor	2.0
Polar Surface Area	46.5
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H15N1O2S1

Molecular Weight

213.08

AlogP

1.6

Hydrogen Bond Acceptor

2.0

Polar Surface Area

46.5

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	107869-45-4
NORMAN SUSDAT
PubChem	362687
ChemSpider	321930.0

Resources

Reference

CAS NUMBER

107869-45-4

NORMAN SUSDAT

PubChem

362687

ChemSpider

321930.0

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

(6R)-8,8-DIMETHYL-4,5,6,7-TETRAHYDRO-3A,6-METHANO-2LAMBDA~6~-2LAMBDA~6~,1-BENZOTHIAZOLE-2,2(3H)-DIONE

Structure

Physicochemical Descriptors

Cross References