EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Z0I9A1O0OD
EPA CompTox	DTXSID1044982

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Z0I9A1O0OD

EPA CompTox

DTXSID1044982


InChI Key	IPEHSCPRVOWQFQ-UHFFFAOYSA-N
Smiles	CN(C1CCCCC1)S(=O)(=O)c1c(N)cccc1
InChI	InChI=1S/C13H20N2O2S/c1-15(11-7-3-2-4-8-11)18(16,17)13-10-6-5-9-12(13)14/h5-6,9-11H,2-4,7-8,14H2,1H3

InChI Key

IPEHSCPRVOWQFQ-UHFFFAOYSA-N

Smiles

CN(C1CCCCC1)S(=O)(=O)c1c(N)cccc1

InChI

InChI=1S/C13H20N2O2S/c1-15(11-7-3-2-4-8-11)18(16,17)13-10-6-5-9-12(13)14/h5-6,9-11H,2-4,7-8,14H2,1H3

Property Name	Value
Molecular Formula	C13H20N2O2S1
Molecular Weight	268.12
AlogP	2.22
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	63.4
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C13H20N2O2S1

Molecular Weight

268.12

AlogP

2.22

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

63.4

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	70693-59-3
NORMAN SUSDAT
FDA SRS	Z0I9A1O0OD
PubChem	116814
ChemSpider	87864.0

Resources

Reference

CAS NUMBER

70693-59-3

NORMAN SUSDAT

FDA SRS

Z0I9A1O0OD

PubChem

116814

ChemSpider

87864.0

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

2-AMINO-N-CYCLOHEXYL-N-METHYLBENZENESULFONAMIDE

Structure

Physicochemical Descriptors

Cross References