2-(azetidin-3-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide

C7H14N2O2S — CID 79588814

IUPAC2-(azetidin-3-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCC1CN(C2CNC2)S(=O)(=O)C1
InChIInChI=1S/C7H14N2O2S/c1-6-4-9(7-2-8-3-7)12(10,11)5-6/h6-8H,2-5H2,1H3
InChIKeySIJWVEQZMCEBQB-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.76
Rot. Bonds1

About 2-(azetidin-3-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide

2-(azetidin-3-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 79588814) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide
PubChem CID79588814
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name2-(azetidin-3-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCC1CN(C2CNC2)S(=O)(=O)C1
InChIInChI=1S/C7H14N2O2S/c1-6-4-9(7-2-8-3-7)12(10,11)5-6/h6-8H,2-5H2,1H3
InChIKeySIJWVEQZMCEBQB-UHFFFAOYSA-N
XLogP-0.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(azetidin-3-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide (CID 79588814) is 2-(azetidin-3-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(azetidin-3-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(azetidin-3-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide is CC1CN(C2CNC2)S(=O)(=O)C1.
What is the InChIKey of 2-(azetidin-3-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is SIJWVEQZMCEBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-6-4-9(7-2-8-3-7)12(10,11)5-6/h6-8H,2-5H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide?
2-(azetidin-3-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 190.27 g/mol, XLogP of -0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 79588814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).