2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol

C5H12N2O3S — CID 20806234

IUPAC2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol
SMILESCN1CCN(CCO)S1(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-6-2-3-7(4-5-8)11(6,9)10/h8H,2-5H2,1H3
InChIKeyKHKXYZLPGXUZCT-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.53
Rot. Bonds2

About 2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol

2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol (PubChem CID 20806234) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol
PubChem CID20806234
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol
SMILESCN1CCN(CCO)S1(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-6-2-3-7(4-5-8)11(6,9)10/h8H,2-5H2,1H3
InChIKeyKHKXYZLPGXUZCT-UHFFFAOYSA-N
XLogP-1.53
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol?
The IUPAC name of 2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol (CID 20806234) is 2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol.
What is the SMILES notation for 2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol?
The canonical SMILES for 2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol is CN1CCN(CCO)S1(=O)=O.
What is the InChIKey of 2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol?
The InChIKey is KHKXYZLPGXUZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-6-2-3-7(4-5-8)11(6,9)10/h8H,2-5H2,1H3.
What are the key properties of 2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol?
2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol has a molecular weight of 180.23 g/mol, XLogP of -1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol is sourced from PubChem (CID 20806234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).