3-(2-methylpropyl)thiolane 1,1-dioxide

C8H16O2S — CID 67002360

IUPAC3-(2-methylpropyl)thiolane 1,1-dioxide
SMILESCC(C)CC1CCS(=O)(=O)C1
InChIInChI=1S/C8H16O2S/c1-7(2)5-8-3-4-11(9,10)6-8/h7-8H,3-6H2,1-2H3
InChIKeySOISRTCWXMURDJ-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.47
Rot. Bonds2

About 3-(2-methylpropyl)thiolane 1,1-dioxide

3-(2-methylpropyl)thiolane 1,1-dioxide (PubChem CID 67002360) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 3-(2-methylpropyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(2-methylpropyl)thiolane 1,1-dioxide
PubChem CID67002360
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name3-(2-methylpropyl)thiolane 1,1-dioxide
SMILESCC(C)CC1CCS(=O)(=O)C1
InChIInChI=1S/C8H16O2S/c1-7(2)5-8-3-4-11(9,10)6-8/h7-8H,3-6H2,1-2H3
InChIKeySOISRTCWXMURDJ-UHFFFAOYSA-N
XLogP1.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2-methylpropyl)thiolane 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 3-(2-methylpropyl)thiolane 1,1-dioxide?
The IUPAC name of 3-(2-methylpropyl)thiolane 1,1-dioxide (CID 67002360) is 3-(2-methylpropyl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(2-methylpropyl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(2-methylpropyl)thiolane 1,1-dioxide is CC(C)CC1CCS(=O)(=O)C1.
What is the InChIKey of 3-(2-methylpropyl)thiolane 1,1-dioxide?
The InChIKey is SOISRTCWXMURDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-7(2)5-8-3-4-11(9,10)6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)thiolane 1,1-dioxide?
3-(2-methylpropyl)thiolane 1,1-dioxide has a molecular weight of 176.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)thiolane 1,1-dioxide is sourced from PubChem (CID 67002360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).