2-ethyl-3-methyl-1,3-thiazolidine 1,1-dioxide

C6H13NO2S — CID 89129328

IUPAC2-ethyl-3-methyl-1,3-thiazolidine 1,1-dioxide
SMILESCCC1N(C)CCS1(=O)=O
InChIInChI=1S/C6H13NO2S/c1-3-6-7(2)4-5-10(6,8)9/h6H,3-5H2,1-2H3
InChIKeyRCYDHEXVJBBILO-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.08
Rot. Bonds1

About 2-ethyl-3-methyl-1,3-thiazolidine 1,1-dioxide

2-ethyl-3-methyl-1,3-thiazolidine 1,1-dioxide (PubChem CID 89129328) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-ethyl-3-methyl-1,3-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-ethyl-3-methyl-1,3-thiazolidine 1,1-dioxide
PubChem CID89129328
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name2-ethyl-3-methyl-1,3-thiazolidine 1,1-dioxide
SMILESCCC1N(C)CCS1(=O)=O
InChIInChI=1S/C6H13NO2S/c1-3-6-7(2)4-5-10(6,8)9/h6H,3-5H2,1-2H3
InChIKeyRCYDHEXVJBBILO-UHFFFAOYSA-N
XLogP0.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-1,3-thiazolidine 1,1-dioxide?
The IUPAC name of 2-ethyl-3-methyl-1,3-thiazolidine 1,1-dioxide (CID 89129328) is 2-ethyl-3-methyl-1,3-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-ethyl-3-methyl-1,3-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-ethyl-3-methyl-1,3-thiazolidine 1,1-dioxide is CCC1N(C)CCS1(=O)=O.
What is the InChIKey of 2-ethyl-3-methyl-1,3-thiazolidine 1,1-dioxide?
The InChIKey is RCYDHEXVJBBILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-3-6-7(2)4-5-10(6,8)9/h6H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-3-methyl-1,3-thiazolidine 1,1-dioxide?
2-ethyl-3-methyl-1,3-thiazolidine 1,1-dioxide has a molecular weight of 163.24 g/mol, XLogP of 0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-1,3-thiazolidine 1,1-dioxide is sourced from PubChem (CID 89129328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).