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T2D : Summary

Code

T2D

One-letter code

X

Molecule name

1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 5-phenyl-1,2,5-thiadiazolidin-3-one 1,1-dioxide
OpenEye OEToolkits 1.5.0 1,1-dioxo-5-phenyl-1,2,5-thiadiazolidin-3-one

Formula

C8 H8 N2 O3 S

Formal charge

0

Molecular weight

212.226 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=S2(=O)NC(=O)CN2c1ccccc1
SMILES CACTVS 3.341 O=C1CN(c2ccccc2)[S](=O)(=O)N1
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)N2CC(=O)NS2(=O)=O
Canonical SMILES CACTVS 3.341 O=C1CN(c2ccccc2)[S](=O)(=O)N1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)N2CC(=O)NS2(=O)=O

IUPAC InChI

InChI=1S/C8H8N2O3S/c11-8-6-10(14(12,13)9-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,11)

IUPAC InChI key

LDCZCUKQWRZSDT-UHFFFAOYSA-N
T2D

wwPDB Information

Atom count

22 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-10-19

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned