3-(benzenesulfonyl)-3-methylbutan-2-ol

C11H16O3S — CID 57146098

IUPAC3-(benzenesulfonyl)-3-methylbutan-2-ol
SMILESCC(O)C(C)(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16O3S/c1-9(12)11(2,3)15(13,14)10-7-5-4-6-8-10/h4-9,12H,1-3H3
InChIKeyJKURCFMUVKHUHL-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.62
Rot. Bonds3

About 3-(benzenesulfonyl)-3-methylbutan-2-ol

3-(benzenesulfonyl)-3-methylbutan-2-ol (PubChem CID 57146098) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-(benzenesulfonyl)-3-methylbutan-2-ol
PubChem CID57146098
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name3-(benzenesulfonyl)-3-methylbutan-2-ol
SMILESCC(O)C(C)(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16O3S/c1-9(12)11(2,3)15(13,14)10-7-5-4-6-8-10/h4-9,12H,1-3H3
InChIKeyJKURCFMUVKHUHL-UHFFFAOYSA-N
XLogP1.62
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-3-methylbutan-2-ol?
The IUPAC name of 3-(benzenesulfonyl)-3-methylbutan-2-ol (CID 57146098) is 3-(benzenesulfonyl)-3-methylbutan-2-ol.
What is the SMILES notation for 3-(benzenesulfonyl)-3-methylbutan-2-ol?
The canonical SMILES for 3-(benzenesulfonyl)-3-methylbutan-2-ol is CC(O)C(C)(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-3-methylbutan-2-ol?
The InChIKey is JKURCFMUVKHUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-9(12)11(2,3)15(13,14)10-7-5-4-6-8-10/h4-9,12H,1-3H3.
What are the key properties of 3-(benzenesulfonyl)-3-methylbutan-2-ol?
3-(benzenesulfonyl)-3-methylbutan-2-ol has a molecular weight of 228.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-3-methylbutan-2-ol is sourced from PubChem (CID 57146098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).