(3R)-3-methylsulfonyloxane

C6H12O3S — CID 15939413

IUPAC(3R)-3-methylsulfonyloxane
SMILESCS(=O)(=O)[C@@H]1CCCOC1
InChIInChI=1S/C6H12O3S/c1-10(7,8)6-3-2-4-9-5-6/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeySHKLGVJWQABTJN-ZCFIWIBFSA-N
MW164.23 g/mol
LogP0.21
Rot. Bonds1

About (3R)-3-methylsulfonyloxane

(3R)-3-methylsulfonyloxane (PubChem CID 15939413) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is (3R)-3-methylsulfonyloxane.

Molecular Properties

Compound Name(3R)-3-methylsulfonyloxane
PubChem CID15939413
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name(3R)-3-methylsulfonyloxane
SMILESCS(=O)(=O)[C@@H]1CCCOC1
InChIInChI=1S/C6H12O3S/c1-10(7,8)6-3-2-4-9-5-6/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeySHKLGVJWQABTJN-ZCFIWIBFSA-N
XLogP0.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methylsulfonyloxane?
The IUPAC name of (3R)-3-methylsulfonyloxane (CID 15939413) is (3R)-3-methylsulfonyloxane.
What is the SMILES notation for (3R)-3-methylsulfonyloxane?
The canonical SMILES for (3R)-3-methylsulfonyloxane is CS(=O)(=O)[C@@H]1CCCOC1.
What is the InChIKey of (3R)-3-methylsulfonyloxane?
The InChIKey is SHKLGVJWQABTJN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12O3S/c1-10(7,8)6-3-2-4-9-5-6/h6H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (3R)-3-methylsulfonyloxane?
(3R)-3-methylsulfonyloxane has a molecular weight of 164.23 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methylsulfonyloxane is sourced from PubChem (CID 15939413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).