1,1-dioxo-5-(pyridin-4-ylmethyl)-1,2,5-thiadiazolidin-3-one

C8H9N3O3S — CID 10285923

IUPAC1,1-dioxo-5-(pyridin-4-ylmethyl)-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(Cc2ccncc2)S(=O)(=O)N1
InChIInChI=1S/C8H9N3O3S/c12-8-6-11(15(13,14)10-8)5-7-1-3-9-4-2-7/h1-4H,5-6H2,(H,10,12)
InChIKeyMRKUZOZELGJUGQ-UHFFFAOYSA-N
MW227.25 g/mol
LogP-0.74
Rot. Bonds2

About 1,1-dioxo-5-(pyridin-4-ylmethyl)-1,2,5-thiadiazolidin-3-one

1,1-dioxo-5-(pyridin-4-ylmethyl)-1,2,5-thiadiazolidin-3-one (PubChem CID 10285923) has the molecular formula C8H9N3O3S and a molecular weight of 227.25 g/mol. Its IUPAC name is 1,1-dioxo-5-(pyridin-4-ylmethyl)-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name1,1-dioxo-5-(pyridin-4-ylmethyl)-1,2,5-thiadiazolidin-3-one
PubChem CID10285923
Molecular FormulaC8H9N3O3S
Molecular Weight227.25 g/mol
Exact Mass227.04
IUPAC Name1,1-dioxo-5-(pyridin-4-ylmethyl)-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(Cc2ccncc2)S(=O)(=O)N1
InChIInChI=1S/C8H9N3O3S/c12-8-6-11(15(13,14)10-8)5-7-1-3-9-4-2-7/h1-4H,5-6H2,(H,10,12)
InChIKeyMRKUZOZELGJUGQ-UHFFFAOYSA-N
XLogP-0.74
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1-dioxo-5-(pyridin-4-ylmethyl)-1,2,5-thiadiazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 3698
CID 3698
CID 227128
CID 227128
CID 3121386
CID 3121386
CID 1398761
CID 1398761
CID 2756440
CID 2756440
CID 5916342
CID 5916342
CID 20786326
CID 20786326
CID 3778233
CID 3778233
CID 3145117
CID 3145117
CID 3149552
CID 3149552
CID 3370489
CID 3370489
CID 1714317
CID 1714317

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-5-(pyridin-4-ylmethyl)-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 1,1-dioxo-5-(pyridin-4-ylmethyl)-1,2,5-thiadiazolidin-3-one (CID 10285923) is 1,1-dioxo-5-(pyridin-4-ylmethyl)-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 1,1-dioxo-5-(pyridin-4-ylmethyl)-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 1,1-dioxo-5-(pyridin-4-ylmethyl)-1,2,5-thiadiazolidin-3-one is O=C1CN(Cc2ccncc2)S(=O)(=O)N1.
What is the InChIKey of 1,1-dioxo-5-(pyridin-4-ylmethyl)-1,2,5-thiadiazolidin-3-one?
The InChIKey is MRKUZOZELGJUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S/c12-8-6-11(15(13,14)10-8)5-7-1-3-9-4-2-7/h1-4H,5-6H2,(H,10,12).
What are the key properties of 1,1-dioxo-5-(pyridin-4-ylmethyl)-1,2,5-thiadiazolidin-3-one?
1,1-dioxo-5-(pyridin-4-ylmethyl)-1,2,5-thiadiazolidin-3-one has a molecular weight of 227.25 g/mol, XLogP of -0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-5-(pyridin-4-ylmethyl)-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 10285923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).