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

C5H11NO2S — CID 90064347

IUPAC4-ethyl-1,3-thiazolidine 1,1-dioxide
SMILESCCC1CS(=O)(=O)CN1
InChIInChI=1S/C5H11NO2S/c1-2-5-3-9(7,8)4-6-5/h5-6H,2-4H2,1H3
InChIKeyABYAQXXMSGBGNY-UHFFFAOYSA-N
MW149.21 g/mol
LogP-0.26
Rot. Bonds1

About 4-ethyl-1,3-thiazolidine 1,1-dioxide

4-ethyl-1,3-thiazolidine 1,1-dioxide (PubChem CID 90064347) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is 4-ethyl-1,3-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name4-ethyl-1,3-thiazolidine 1,1-dioxide
PubChem CID90064347
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Name4-ethyl-1,3-thiazolidine 1,1-dioxide
SMILESCCC1CS(=O)(=O)CN1
InChIInChI=1S/C5H11NO2S/c1-2-5-3-9(7,8)4-6-5/h5-6H,2-4H2,1H3
InChIKeyABYAQXXMSGBGNY-UHFFFAOYSA-N
XLogP-0.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3-thiazolidine 1,1-dioxide?
The IUPAC name of 4-ethyl-1,3-thiazolidine 1,1-dioxide (CID 90064347) is 4-ethyl-1,3-thiazolidine 1,1-dioxide.
What is the SMILES notation for 4-ethyl-1,3-thiazolidine 1,1-dioxide?
The canonical SMILES for 4-ethyl-1,3-thiazolidine 1,1-dioxide is CCC1CS(=O)(=O)CN1.
What is the InChIKey of 4-ethyl-1,3-thiazolidine 1,1-dioxide?
The InChIKey is ABYAQXXMSGBGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-2-5-3-9(7,8)4-6-5/h5-6H,2-4H2,1H3.
What are the key properties of 4-ethyl-1,3-thiazolidine 1,1-dioxide?
4-ethyl-1,3-thiazolidine 1,1-dioxide has a molecular weight of 149.21 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3-thiazolidine 1,1-dioxide is sourced from PubChem (CID 90064347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).