Chemical Components in the PDB

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M75 : Summary

Code

M75

One-letter code

X

Molecule name

~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide

Formula

C6 H9 N3 O2 S

Formal charge

0

Molecular weight

187.22 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O=[S](=O)(NC1CC1)c2c[nH]cn2
SMILES OpenEye OEToolkits 2.0.7 c1c(nc[nH]1)S(=O)(=O)NC2CC2
Canonical SMILES CACTVS 3.385 O=[S](=O)(NC1CC1)c2c[nH]cn2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1c(nc[nH]1)S(=O)(=O)NC2CC2

IUPAC InChI

InChI=1S/C6H9N3O2S/c10-12(11,9-5-1-2-5)6-3-7-4-8-6/h3-5,9H,1-2H2,(H,7,8)

IUPAC InChI key

JRINQCODSFQXLT-UHFFFAOYSA-N
M75

wwPDB Information

Atom count

21 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-10-03

Last modified at

2020-02-28

Status

Released

Obsoleted

Not Assigned