Chemical Components in the PDB

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0YA : Summary

Code

0YA

One-letter code

X

Molecule name

cyclopropanesulfonamide

Systematic names

ProgramVersionName
ACDLabs 12.01 cyclopropanesulfonamide
OpenEye OEToolkits 1.7.6 cyclopropanesulfonamide

Formula

C3 H7 N O2 S

Formal charge

0

Molecular weight

121.158 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(N)C1CC1
SMILES CACTVS 3.370 N[S](=O)(=O)C1CC1
SMILES OpenEye OEToolkits 1.7.6 C1CC1S(=O)(=O)N
Canonical SMILES CACTVS 3.370 N[S](=O)(=O)C1CC1
Canonical SMILES OpenEye OEToolkits 1.7.6 C1CC1S(=O)(=O)N

IUPAC InChI

InChI=1S/C3H7NO2S/c4-7(5,6)3-1-2-3/h3H,1-2H2,(H2,4,5,6)

IUPAC InChI key

WMSPXQIQBQAWLL-UHFFFAOYSA-N

Is part of

1X3
0YA

wwPDB Information

Atom count

14 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-09-12

Last modified at

2012-12-07

Status

Released

Obsoleted

Not Assigned