4-(4-methylbenzyl)-1lambda~6~,4-thiazinane-1,1-dione (CHEBI:228534)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	4-(4-methylbenzyl)-1lambda~6~,4-thiazinane-1,1-dione

ChEBI ID	CHEBI:228534

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H17NO2S

Net Charge

Average Mass

239.330

Monoisotopic Mass

239.09800

InChI

InChI=1S/C12H17NO2S/c1-11-2-4-12(5-3-11)10-13-6-8-16(14,15)9-7-13/h2-5H,6-10H2,1H3

InChIKey

PBEMXBVPRZGFNM-UHFFFAOYSA-N

SMILES

S1(=O)(=O)CCN(CC1)CC2=CC=C(C=C2)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

ChEBI Ontology
Outgoing	4-(4-methylbenzyl)-1lambda~6~,4-thiazinane-1,1-dione (CHEBI:228534) is a aromatic amine (CHEBI:33860)

IUPAC Name

4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide