(2S)-2-methyl-2-methylsulfonyloxolane

C6H12O3S — CID 68988137

IUPAC(2S)-2-methyl-2-methylsulfonyloxolane
SMILESC[C@]1(S(C)(=O)=O)CCCO1
InChIInChI=1S/C6H12O3S/c1-6(10(2,7)8)4-3-5-9-6/h3-5H2,1-2H3/t6-/m0/s1
InChIKeyUVRUVFLAHBMPSB-LURJTMIESA-N
MW164.23 g/mol
LogP0.56
Rot. Bonds1

About (2S)-2-methyl-2-methylsulfonyloxolane

(2S)-2-methyl-2-methylsulfonyloxolane (PubChem CID 68988137) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is (2S)-2-methyl-2-methylsulfonyloxolane.

Molecular Properties

Compound Name(2S)-2-methyl-2-methylsulfonyloxolane
PubChem CID68988137
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name(2S)-2-methyl-2-methylsulfonyloxolane
SMILESC[C@]1(S(C)(=O)=O)CCCO1
InChIInChI=1S/C6H12O3S/c1-6(10(2,7)8)4-3-5-9-6/h3-5H2,1-2H3/t6-/m0/s1
InChIKeyUVRUVFLAHBMPSB-LURJTMIESA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-methylsulfonyloxolane?
The IUPAC name of (2S)-2-methyl-2-methylsulfonyloxolane (CID 68988137) is (2S)-2-methyl-2-methylsulfonyloxolane.
What is the SMILES notation for (2S)-2-methyl-2-methylsulfonyloxolane?
The canonical SMILES for (2S)-2-methyl-2-methylsulfonyloxolane is C[C@]1(S(C)(=O)=O)CCCO1.
What is the InChIKey of (2S)-2-methyl-2-methylsulfonyloxolane?
The InChIKey is UVRUVFLAHBMPSB-LURJTMIESA-N. The full InChI is InChI=1S/C6H12O3S/c1-6(10(2,7)8)4-3-5-9-6/h3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-2-methyl-2-methylsulfonyloxolane?
(2S)-2-methyl-2-methylsulfonyloxolane has a molecular weight of 164.23 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-methylsulfonyloxolane is sourced from PubChem (CID 68988137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).