Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

T6N : Summary

Code

T6N

One-letter code

X

Molecule name

2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide

Formula

C13 H19 N O2 S

Formal charge

0

Molecular weight

253.36 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1ccc(OC(C)(C)C(=O)NCCS)cc1
SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(cc1)OC(C)(C)C(=O)NCCS
Canonical SMILES CACTVS 3.385 Cc1ccc(OC(C)(C)C(=O)NCCS)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(cc1)OC(C)(C)C(=O)NCCS

IUPAC InChI

InChI=1S/C13H19NO2S/c1-10-4-6-11(7-5-10)16-13(2,3)12(15)14-8-9-17/h4-7,17H,8-9H2,1-3H3,(H,14,15)

IUPAC InChI key

QMHUJMFZVOXMEY-UHFFFAOYSA-N
T6N

wwPDB Information

Atom count

36 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-12-15

Last modified at

2021-07-02

Status

Released

Obsoleted

Not Assigned