3-(2-methylsulfonylethyl)cyclobutan-1-ol

C7H14O3S — CID 155820748

IUPAC3-(2-methylsulfonylethyl)cyclobutan-1-ol
SMILESCS(=O)(=O)CCC1CC(O)C1
InChIInChI=1S/C7H14O3S/c1-11(9,10)3-2-6-4-7(8)5-6/h6-8H,2-5H2,1H3
InChIKeyXUDUJHWJRAZFIM-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.19
Rot. Bonds3

About 3-(2-methylsulfonylethyl)cyclobutan-1-ol

3-(2-methylsulfonylethyl)cyclobutan-1-ol (PubChem CID 155820748) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 3-(2-methylsulfonylethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(2-methylsulfonylethyl)cyclobutan-1-ol
PubChem CID155820748
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name3-(2-methylsulfonylethyl)cyclobutan-1-ol
SMILESCS(=O)(=O)CCC1CC(O)C1
InChIInChI=1S/C7H14O3S/c1-11(9,10)3-2-6-4-7(8)5-6/h6-8H,2-5H2,1H3
InChIKeyXUDUJHWJRAZFIM-UHFFFAOYSA-N
XLogP0.19
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylethyl)cyclobutan-1-ol?
The IUPAC name of 3-(2-methylsulfonylethyl)cyclobutan-1-ol (CID 155820748) is 3-(2-methylsulfonylethyl)cyclobutan-1-ol.
What is the SMILES notation for 3-(2-methylsulfonylethyl)cyclobutan-1-ol?
The canonical SMILES for 3-(2-methylsulfonylethyl)cyclobutan-1-ol is CS(=O)(=O)CCC1CC(O)C1.
What is the InChIKey of 3-(2-methylsulfonylethyl)cyclobutan-1-ol?
The InChIKey is XUDUJHWJRAZFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-11(9,10)3-2-6-4-7(8)5-6/h6-8H,2-5H2,1H3.
What are the key properties of 3-(2-methylsulfonylethyl)cyclobutan-1-ol?
3-(2-methylsulfonylethyl)cyclobutan-1-ol has a molecular weight of 178.25 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylethyl)cyclobutan-1-ol is sourced from PubChem (CID 155820748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).