2-phenyl-1,2,5-thiadiazolidine 1,1-dioxide

C8H10N2O2S — CID 55250817

IUPAC2-phenyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NCCN1c1ccccc1
InChIInChI=1S/C8H10N2O2S/c11-13(12)9-6-7-10(13)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyZRGOCIFRPCUCBS-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.34
Rot. Bonds1

About 2-phenyl-1,2,5-thiadiazolidine 1,1-dioxide

2-phenyl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 55250817) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-phenyl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-phenyl-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID55250817
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name2-phenyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NCCN1c1ccccc1
InChIInChI=1S/C8H10N2O2S/c11-13(12)9-6-7-10(13)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyZRGOCIFRPCUCBS-UHFFFAOYSA-N
XLogP0.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-phenyl-1,2,5-thiadiazolidine 1,1-dioxide (CID 55250817) is 2-phenyl-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-phenyl-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-phenyl-1,2,5-thiadiazolidine 1,1-dioxide is O=S1(=O)NCCN1c1ccccc1.
What is the InChIKey of 2-phenyl-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is ZRGOCIFRPCUCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c11-13(12)9-6-7-10(13)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 2-phenyl-1,2,5-thiadiazolidine 1,1-dioxide?
2-phenyl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 198.25 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 55250817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).