2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol

C6H13NO3S — CID 104549019

IUPAC2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol
SMILESCC1CN(CCO)S(=O)(=O)C1
InChIInChI=1S/C6H13NO3S/c1-6-4-7(2-3-8)11(9,10)5-6/h6,8H,2-5H2,1H3
InChIKeyLGFDPXHQLRARCB-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.74
Rot. Bonds2

About 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol

2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol (PubChem CID 104549019) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol
PubChem CID104549019
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol
SMILESCC1CN(CCO)S(=O)(=O)C1
InChIInChI=1S/C6H13NO3S/c1-6-4-7(2-3-8)11(9,10)5-6/h6,8H,2-5H2,1H3
InChIKeyLGFDPXHQLRARCB-UHFFFAOYSA-N
XLogP-0.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol?
The IUPAC name of 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol (CID 104549019) is 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol.
What is the SMILES notation for 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol?
The canonical SMILES for 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol is CC1CN(CCO)S(=O)(=O)C1.
What is the InChIKey of 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol?
The InChIKey is LGFDPXHQLRARCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-6-4-7(2-3-8)11(9,10)5-6/h6,8H,2-5H2,1H3.
What are the key properties of 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol?
2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol has a molecular weight of 179.24 g/mol, XLogP of -0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethanol is sourced from PubChem (CID 104549019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).