2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol

C5H11NO3S — CID 43620085

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol
SMILESO=S1(=O)CCCN1CCO
InChIInChI=1S/C5H11NO3S/c7-4-3-6-2-1-5-10(6,8)9/h7H,1-5H2
InChIKeyQIPPPPIUALZMOL-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.99
Rot. Bonds2

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol

2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol (PubChem CID 43620085) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol
PubChem CID43620085
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol
SMILESO=S1(=O)CCCN1CCO
InChIInChI=1S/C5H11NO3S/c7-4-3-6-2-1-5-10(6,8)9/h7H,1-5H2
InChIKeyQIPPPPIUALZMOL-UHFFFAOYSA-N
XLogP-0.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol (CID 43620085) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol is O=S1(=O)CCCN1CCO.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol?
The InChIKey is QIPPPPIUALZMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c7-4-3-6-2-1-5-10(6,8)9/h7H,1-5H2.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol has a molecular weight of 165.21 g/mol, XLogP of -0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanol is sourced from PubChem (CID 43620085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).