Chemical Components in the PDB

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T54 : Summary

Code

T54

One-letter code

X

Molecule name

(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 (1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide
OpenEye OEToolkits 2.0.7 (1~{S},2~{R})-2-thiophen-3-ylcyclopentane-1-carboxamide

Formula

C10 H13 N O S

Formal charge

0

Molecular weight

195.281 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1c(csc1)C2C(C(N)=O)CCC2
SMILES CACTVS 3.385 NC(=O)[CH]1CCC[CH]1c2cscc2
SMILES OpenEye OEToolkits 2.0.7 c1cscc1C2CCCC2C(=O)N
Canonical SMILES CACTVS 3.385 NC(=O)[C@H]1CCC[C@H]1c2cscc2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cscc1[C@@H]2CCC[C@@H]2C(=O)N

IUPAC InChI

InChI=1S/C10H13NOS/c11-10(12)9-3-1-2-8(9)7-4-5-13-6-7/h4-6,8-9H,1-3H2,(H2,11,12)/t8-,9-/m1/s1

IUPAC InChI key

GQGCCJATUDDTKK-RKDXNWHRSA-N
T54

wwPDB Information

Atom count

26 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-16

Last modified at

2020-03-20

Status

Released

Obsoleted

Not Assigned