1-cyclopropyl-2-methylsulfonylethanol

C6H12O3S — CID 63906828

IUPAC1-cyclopropyl-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)C1CC1
InChIInChI=1S/C6H12O3S/c1-10(8,9)4-6(7)5-2-3-5/h5-7H,2-4H2,1H3
InChIKeyWZPZKRHCLOVOMD-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.20
Rot. Bonds3

About 1-cyclopropyl-2-methylsulfonylethanol

1-cyclopropyl-2-methylsulfonylethanol (PubChem CID 63906828) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-cyclopropyl-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-methylsulfonylethanol
PubChem CID63906828
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name1-cyclopropyl-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)C1CC1
InChIInChI=1S/C6H12O3S/c1-10(8,9)4-6(7)5-2-3-5/h5-7H,2-4H2,1H3
InChIKeyWZPZKRHCLOVOMD-UHFFFAOYSA-N
XLogP-0.20
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methylsulfonylethanol?
The IUPAC name of 1-cyclopropyl-2-methylsulfonylethanol (CID 63906828) is 1-cyclopropyl-2-methylsulfonylethanol.
What is the SMILES notation for 1-cyclopropyl-2-methylsulfonylethanol?
The canonical SMILES for 1-cyclopropyl-2-methylsulfonylethanol is CS(=O)(=O)CC(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methylsulfonylethanol?
The InChIKey is WZPZKRHCLOVOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-10(8,9)4-6(7)5-2-3-5/h5-7H,2-4H2,1H3.
What are the key properties of 1-cyclopropyl-2-methylsulfonylethanol?
1-cyclopropyl-2-methylsulfonylethanol has a molecular weight of 164.23 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methylsulfonylethanol is sourced from PubChem (CID 63906828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).