Details of the Drug

General Information of Drug (ID: DM9VYOI)

Drug Name

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

Synonyms

NSC648146; 1,2,5-Thiadiazolidin-3-one 1,1-dioxide; 1,1-dioxo-1,2,5-thiadiazolidin-3-one; AC1Q6H1D; SCHEMBL630051; CHEMBL1996483; CTK7H4434; AC1L8566; NSC-648146; NCI60_016689; 1,5-Thiadiazolidin-3-one, 1,1-dioxide; 1,2,5-thiadiazolidine-3-one-1,1-dioxide; 1,2,5-Thiadiazolidine-3-one 1,1-dioxide; 1,2,5-Thiadiazolidin-3-one, 1,1-dioxide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

212.23

Logarithm of the Partition Coefficient (xlogp)

0.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C8H8N2O3S
IUPAC Name: 1,1-dioxo-5-phenyl-1,2,5-thiadiazolidin-3-one
Canonical SMILES: C1C(=O)NS(=O)(=O)N1C2=CC=CC=C2
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)
InChIKey: LDCZCUKQWRZSDT-UHFFFAOYSA-N