(3S)-3-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxolane

C11H22O3S — CID 59253196

IUPAC(3S)-3-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxolane
SMILESCC(C)C(C)(C)S(=O)(=O)C[C@H]1CCOC1
InChIInChI=1S/C11H22O3S/c1-9(2)11(3,4)15(12,13)8-10-5-6-14-7-10/h9-10H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyBHKIAGCDEASFNZ-JTQLQIEISA-N
MW234.36 g/mol
LogP1.87
Rot. Bonds4

About (3S)-3-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxolane

(3S)-3-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxolane (PubChem CID 59253196) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is (3S)-3-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxolane.

Molecular Properties

Compound Name(3S)-3-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxolane
PubChem CID59253196
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name(3S)-3-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxolane
SMILESCC(C)C(C)(C)S(=O)(=O)C[C@H]1CCOC1
InChIInChI=1S/C11H22O3S/c1-9(2)11(3,4)15(12,13)8-10-5-6-14-7-10/h9-10H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyBHKIAGCDEASFNZ-JTQLQIEISA-N
XLogP1.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxolane?
The IUPAC name of (3S)-3-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxolane (CID 59253196) is (3S)-3-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxolane.
What is the SMILES notation for (3S)-3-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxolane?
The canonical SMILES for (3S)-3-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxolane is CC(C)C(C)(C)S(=O)(=O)C[C@H]1CCOC1.
What is the InChIKey of (3S)-3-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxolane?
The InChIKey is BHKIAGCDEASFNZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22O3S/c1-9(2)11(3,4)15(12,13)8-10-5-6-14-7-10/h9-10H,5-8H2,1-4H3/t10-/m0/s1.
What are the key properties of (3S)-3-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxolane?
(3S)-3-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxolane has a molecular weight of 234.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxolane is sourced from PubChem (CID 59253196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).