3-ethyl-1,3-thiazolidine 1,1-dioxide

C5H11NO2S — CID 88984118

IUPAC3-ethyl-1,3-thiazolidine 1,1-dioxide
SMILESCCN1CCS(=O)(=O)C1
InChIInChI=1S/C5H11NO2S/c1-2-6-3-4-9(7,8)5-6/h2-5H2,1H3
InChIKeyCGZMMKYTUKHELN-UHFFFAOYSA-N
MW149.22 g/mol
LogP-0.31
Rot. Bonds1

About 3-ethyl-1,3-thiazolidine 1,1-dioxide

3-ethyl-1,3-thiazolidine 1,1-dioxide (PubChem CID 88984118) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 3-ethyl-1,3-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name3-ethyl-1,3-thiazolidine 1,1-dioxide
PubChem CID88984118
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name3-ethyl-1,3-thiazolidine 1,1-dioxide
SMILESCCN1CCS(=O)(=O)C1
InChIInChI=1S/C5H11NO2S/c1-2-6-3-4-9(7,8)5-6/h2-5H2,1H3
InChIKeyCGZMMKYTUKHELN-UHFFFAOYSA-N
XLogP-0.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,3-thiazolidine 1,1-dioxide?
The IUPAC name of 3-ethyl-1,3-thiazolidine 1,1-dioxide (CID 88984118) is 3-ethyl-1,3-thiazolidine 1,1-dioxide.
What is the SMILES notation for 3-ethyl-1,3-thiazolidine 1,1-dioxide?
The canonical SMILES for 3-ethyl-1,3-thiazolidine 1,1-dioxide is CCN1CCS(=O)(=O)C1.
What is the InChIKey of 3-ethyl-1,3-thiazolidine 1,1-dioxide?
The InChIKey is CGZMMKYTUKHELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-2-6-3-4-9(7,8)5-6/h2-5H2,1H3.
What are the key properties of 3-ethyl-1,3-thiazolidine 1,1-dioxide?
3-ethyl-1,3-thiazolidine 1,1-dioxide has a molecular weight of 149.22 g/mol, XLogP of -0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,3-thiazolidine 1,1-dioxide is sourced from PubChem (CID 88984118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).