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

C4H9NO2S — CID 67380814

IUPAC3-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCC1CCS(=O)(=O)N1
InChIInChI=1S/C4H9NO2S/c1-4-2-3-8(6,7)5-4/h4-5H,2-3H2,1H3
InChIKeyULZOVNGHPDAGMF-UHFFFAOYSA-N
MW135.19 g/mol
LogP-0.30
Rot. Bonds

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

3-methyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 67380814) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is 3-methyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-1,2-thiazolidine 1,1-dioxide
PubChem CID67380814
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name3-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCC1CCS(=O)(=O)N1
InChIInChI=1S/C4H9NO2S/c1-4-2-3-8(6,7)5-4/h4-5H,2-3H2,1H3
InChIKeyULZOVNGHPDAGMF-UHFFFAOYSA-N
XLogP-0.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 3-methyl-1,2-thiazolidine 1,1-dioxide (CID 67380814) is 3-methyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 3-methyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 3-methyl-1,2-thiazolidine 1,1-dioxide is CC1CCS(=O)(=O)N1.
What is the InChIKey of 3-methyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is ULZOVNGHPDAGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c1-4-2-3-8(6,7)5-4/h4-5H,2-3H2,1H3.
What are the key properties of 3-methyl-1,2-thiazolidine 1,1-dioxide?
3-methyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 135.19 g/mol, XLogP of -0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 67380814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).