2-methyl-5-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide

C7H16N2O2S — CID 58799598

IUPAC2-methyl-5-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC(C)CN1CCN(C)S1(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-7(2)6-9-5-4-8(3)12(9,10)11/h7H,4-6H2,1-3H3
InChIKeyXILKTSNMWSXUMM-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.13
Rot. Bonds2

About 2-methyl-5-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide

2-methyl-5-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 58799598) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-methyl-5-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID58799598
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name2-methyl-5-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC(C)CN1CCN(C)S1(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-7(2)6-9-5-4-8(3)12(9,10)11/h7H,4-6H2,1-3H3
InChIKeyXILKTSNMWSXUMM-UHFFFAOYSA-N
XLogP0.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-5-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-methyl-5-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide (CID 58799598) is 2-methyl-5-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-methyl-5-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-methyl-5-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide is CC(C)CN1CCN(C)S1(=O)=O.
What is the InChIKey of 2-methyl-5-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is XILKTSNMWSXUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-7(2)6-9-5-4-8(3)12(9,10)11/h7H,4-6H2,1-3H3.
What are the key properties of 2-methyl-5-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide?
2-methyl-5-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 192.28 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 58799598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).