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

C5H9NO2S — CID 59171546

IUPAC3-methyl-2-methylidene-1,3-thiazolidine 1,1-dioxide
SMILESC=C1N(C)CCS1(=O)=O
InChIInChI=1S/C5H9NO2S/c1-5-6(2)3-4-9(5,7)8/h1,3-4H2,2H3
InChIKeyQJUHUKFMPJXCLX-UHFFFAOYSA-N
MW147.20 g/mol
LogP-0.18
Rot. Bonds

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

3-methyl-2-methylidene-1,3-thiazolidine 1,1-dioxide (PubChem CID 59171546) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is 3-methyl-2-methylidene-1,3-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-2-methylidene-1,3-thiazolidine 1,1-dioxide
PubChem CID59171546
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name3-methyl-2-methylidene-1,3-thiazolidine 1,1-dioxide
SMILESC=C1N(C)CCS1(=O)=O
InChIInChI=1S/C5H9NO2S/c1-5-6(2)3-4-9(5,7)8/h1,3-4H2,2H3
InChIKeyQJUHUKFMPJXCLX-UHFFFAOYSA-N
XLogP-0.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidene-1,3-thiazolidine 1,1-dioxide?
The IUPAC name of 3-methyl-2-methylidene-1,3-thiazolidine 1,1-dioxide (CID 59171546) is 3-methyl-2-methylidene-1,3-thiazolidine 1,1-dioxide.
What is the SMILES notation for 3-methyl-2-methylidene-1,3-thiazolidine 1,1-dioxide?
The canonical SMILES for 3-methyl-2-methylidene-1,3-thiazolidine 1,1-dioxide is C=C1N(C)CCS1(=O)=O.
What is the InChIKey of 3-methyl-2-methylidene-1,3-thiazolidine 1,1-dioxide?
The InChIKey is QJUHUKFMPJXCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-5-6(2)3-4-9(5,7)8/h1,3-4H2,2H3.
What are the key properties of 3-methyl-2-methylidene-1,3-thiazolidine 1,1-dioxide?
3-methyl-2-methylidene-1,3-thiazolidine 1,1-dioxide has a molecular weight of 147.20 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-1,3-thiazolidine 1,1-dioxide is sourced from PubChem (CID 59171546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).