2-methyl-3-(3-methylbutyl)-1,2,5-thiadiazolidine 1,1-dioxide

C8H18N2O2S — CID 70939954

IUPAC2-methyl-3-(3-methylbutyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC(C)CCC1CNS(=O)(=O)N1C
InChIInChI=1S/C8H18N2O2S/c1-7(2)4-5-8-6-9-13(11,12)10(8)3/h7-9H,4-6H2,1-3H3
InChIKeyIGSKQOFWFONDCP-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.57
Rot. Bonds3

About 2-methyl-3-(3-methylbutyl)-1,2,5-thiadiazolidine 1,1-dioxide

2-methyl-3-(3-methylbutyl)-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 70939954) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-methyl-3-(3-methylbutyl)-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-methyl-3-(3-methylbutyl)-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID70939954
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-methyl-3-(3-methylbutyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC(C)CCC1CNS(=O)(=O)N1C
InChIInChI=1S/C8H18N2O2S/c1-7(2)4-5-8-6-9-13(11,12)10(8)3/h7-9H,4-6H2,1-3H3
InChIKeyIGSKQOFWFONDCP-UHFFFAOYSA-N
XLogP0.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-(3-methylbutyl)-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-3-(3-methylbutyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-methyl-3-(3-methylbutyl)-1,2,5-thiadiazolidine 1,1-dioxide (CID 70939954) is 2-methyl-3-(3-methylbutyl)-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-methyl-3-(3-methylbutyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-methyl-3-(3-methylbutyl)-1,2,5-thiadiazolidine 1,1-dioxide is CC(C)CCC1CNS(=O)(=O)N1C.
What is the InChIKey of 2-methyl-3-(3-methylbutyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is IGSKQOFWFONDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7(2)4-5-8-6-9-13(11,12)10(8)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-methyl-3-(3-methylbutyl)-1,2,5-thiadiazolidine 1,1-dioxide?
2-methyl-3-(3-methylbutyl)-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 206.31 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylbutyl)-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 70939954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).