2,2,4,5-tetramethylthiolane 1,1-dioxide

C8H16O2S — CID 54264007

IUPAC2,2,4,5-tetramethylthiolane 1,1-dioxide
SMILESCC1CC(C)(C)S(=O)(=O)C1C
InChIInChI=1S/C8H16O2S/c1-6-5-8(3,4)11(9,10)7(6)2/h6-7H,5H2,1-4H3
InChIKeyRFMBNOVVSLCDIS-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.61
Rot. Bonds

About 2,2,4,5-tetramethylthiolane 1,1-dioxide

2,2,4,5-tetramethylthiolane 1,1-dioxide (PubChem CID 54264007) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 2,2,4,5-tetramethylthiolane 1,1-dioxide.

Molecular Properties

Compound Name2,2,4,5-tetramethylthiolane 1,1-dioxide
PubChem CID54264007
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name2,2,4,5-tetramethylthiolane 1,1-dioxide
SMILESCC1CC(C)(C)S(=O)(=O)C1C
InChIInChI=1S/C8H16O2S/c1-6-5-8(3,4)11(9,10)7(6)2/h6-7H,5H2,1-4H3
InChIKeyRFMBNOVVSLCDIS-UHFFFAOYSA-N
XLogP1.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,4,5-tetramethylthiolane 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

Related Compounds

2,4-Dimethylsulfolane
CID 70483
3-Butyl-1lambda~4~-thiolan-1-one
CID 3363251
3-Butylthiolane 1-Oxide
CID 9543528
(1R,3S)-3-Butylthiolane 1-oxide
CID 17754178
Dimethylsulfolan
CID 22262471
3-Hexyltetrahydrothiophene 1,1-dioxide
CID 543842
2-Propan-2-ylthiolane 1,1-dioxide
CID 13525644
5-Methyl-1-methylsulfonylhexane
CID 13525653
3-t-Butylsulfolane
CID 20767965
Ethylsulfonylmethylcyclohexane
CID 21031029
2-Methyl-3-methylsulfonylhexane
CID 123139265
2,4-Diethyl-4-fluorothiolane 1,1-dioxide
CID 140071287

Frequently Asked Questions

What is the IUPAC name of 2,2,4,5-tetramethylthiolane 1,1-dioxide?
The IUPAC name of 2,2,4,5-tetramethylthiolane 1,1-dioxide (CID 54264007) is 2,2,4,5-tetramethylthiolane 1,1-dioxide.
What is the SMILES notation for 2,2,4,5-tetramethylthiolane 1,1-dioxide?
The canonical SMILES for 2,2,4,5-tetramethylthiolane 1,1-dioxide is CC1CC(C)(C)S(=O)(=O)C1C.
What is the InChIKey of 2,2,4,5-tetramethylthiolane 1,1-dioxide?
The InChIKey is RFMBNOVVSLCDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-6-5-8(3,4)11(9,10)7(6)2/h6-7H,5H2,1-4H3.
What are the key properties of 2,2,4,5-tetramethylthiolane 1,1-dioxide?
2,2,4,5-tetramethylthiolane 1,1-dioxide has a molecular weight of 176.28 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5-tetramethylthiolane 1,1-dioxide is sourced from PubChem (CID 54264007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).