Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

VFJ : Summary

Code

VFJ

One-letter code

X

Molecule name

N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
OpenEye OEToolkits 2.0.7 ~{N}-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide

Formula

C6 H10 N4 O3 S2

Formal charge

0

Molecular weight

250.299 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(C)CC(=O)Nc1nnc(S(N)(=O)=O)s1
SMILES CACTVS 3.385 CCCC(=O)Nc1sc(nn1)[S](N)(=O)=O
SMILES OpenEye OEToolkits 2.0.7 CCCC(=O)Nc1nnc(s1)S(=O)(=O)N
Canonical SMILES CACTVS 3.385 CCCC(=O)Nc1sc(nn1)[S](N)(=O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCC(=O)Nc1nnc(s1)S(=O)(=O)N

IUPAC InChI

InChI=1S/C6H10N4O3S2/c1-2-3-4(11)8-5-9-10-6(14-5)15(7,12)13/h2-3H2,1H3,(H2,7,12,13)(H,8,9,11)

IUPAC InChI key

HZIYHIRJHYIRQO-UHFFFAOYSA-N
VFJ

wwPDB Information

Atom count

25 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-08-07

Last modified at

2020-10-30

Status

Released

Obsoleted

Not Assigned