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

C4H10N2O3S — CID 84765081

IUPAC2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol
SMILESO=S1(=O)NCCN1CCO
InChIInChI=1S/C4H10N2O3S/c7-4-3-6-2-1-5-10(6,8)9/h5,7H,1-4H2
InChIKeyHMZZMEHDRTZQLS-UHFFFAOYSA-N
MW166.20 g/mol
LogP-1.87
Rot. Bonds2

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

2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol (PubChem CID 84765081) has the molecular formula C4H10N2O3S and a molecular weight of 166.20 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol
PubChem CID84765081
Molecular FormulaC4H10N2O3S
Molecular Weight166.20 g/mol
Exact Mass166.04
IUPAC Name2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol
SMILESO=S1(=O)NCCN1CCO
InChIInChI=1S/C4H10N2O3S/c7-4-3-6-2-1-5-10(6,8)9/h5,7H,1-4H2
InChIKeyHMZZMEHDRTZQLS-UHFFFAOYSA-N
XLogP-1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-1.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol?
The IUPAC name of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol (CID 84765081) is 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol.
What is the SMILES notation for 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol?
The canonical SMILES for 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol is O=S1(=O)NCCN1CCO.
What is the InChIKey of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol?
The InChIKey is HMZZMEHDRTZQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3S/c7-4-3-6-2-1-5-10(6,8)9/h5,7H,1-4H2.
What are the key properties of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol?
2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol has a molecular weight of 166.20 g/mol, XLogP of -1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanol is sourced from PubChem (CID 84765081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).