2-(4-methylsulfonylphenyl)-6-oxaspiro[2.5]octane

C14H18O3S — CID 146106285

IUPAC2-(4-methylsulfonylphenyl)-6-oxaspiro[2.5]octane
SMILESCS(=O)(=O)c1ccc(C2CC23CCOCC3)cc1
InChIInChI=1S/C14H18O3S/c1-18(15,16)12-4-2-11(3-5-12)13-10-14(13)6-8-17-9-7-14/h2-5,13H,6-10H2,1H3
InChIKeyAUWDUGBCWBKELZ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.37
Rot. Bonds2

About 2-(4-methylsulfonylphenyl)-6-oxaspiro[2.5]octane

2-(4-methylsulfonylphenyl)-6-oxaspiro[2.5]octane (PubChem CID 146106285) has the molecular formula C14H18O3S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-6-oxaspiro[2.5]octane.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-6-oxaspiro[2.5]octane
PubChem CID146106285
Molecular FormulaC14H18O3S
Molecular Weight266.36 g/mol
Exact Mass266.10
IUPAC Name2-(4-methylsulfonylphenyl)-6-oxaspiro[2.5]octane
SMILESCS(=O)(=O)c1ccc(C2CC23CCOCC3)cc1
InChIInChI=1S/C14H18O3S/c1-18(15,16)12-4-2-11(3-5-12)13-10-14(13)6-8-17-9-7-14/h2-5,13H,6-10H2,1H3
InChIKeyAUWDUGBCWBKELZ-UHFFFAOYSA-N
XLogP2.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-fluoro-3-(4-methylsulfonylphenyl)oxolane
CID 162398286
[2-Cyclohexyl-1-(3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol
CID 67084686
4-Cyclopropyl-2-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonyloxane
CID 174840073
3-Cyclopropyl-2,5-dimethyl-2-[3-(trifluoromethyl)phenyl]sulfonyloxane
CID 175305941
2-(4-Tert-butylphenyl)sulfanyloxane
CID 10083483
trans-2-Tosyloxymethyl-3-carene
CID 14335176
(2R,3S)-6-(benzenesulfonyl)-2-[(2S)-butan-2-yl]-3-methyloxane
CID 14608964
5-Ethyl-2-(4-methylphenyl)sulfonyloxane
CID 85264948
3-(4-Methylsulfonylphenyl)-4-phenyl-2,3-dihydrofuran
CID 90914940
(1S,2S,5R)-1-(benzenesulfonyl)-2-but-3-enyl-2-prop-2-enyl-3-oxabicyclo[3.1.0]hexane
CID 138984112
(2R)-2-[(1S)-3,3-dimethyl-1-(4-methylphenyl)sulfonylbutyl]oxane
CID 168330118
(1S,2S,3S)-1-(ethoxymethyl)-2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carbonitrile
CID 100016432

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-6-oxaspiro[2.5]octane?
The IUPAC name of 2-(4-methylsulfonylphenyl)-6-oxaspiro[2.5]octane (CID 146106285) is 2-(4-methylsulfonylphenyl)-6-oxaspiro[2.5]octane.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-6-oxaspiro[2.5]octane?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-6-oxaspiro[2.5]octane is CS(=O)(=O)c1ccc(C2CC23CCOCC3)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-6-oxaspiro[2.5]octane?
The InChIKey is AUWDUGBCWBKELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3S/c1-18(15,16)12-4-2-11(3-5-12)13-10-14(13)6-8-17-9-7-14/h2-5,13H,6-10H2,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)-6-oxaspiro[2.5]octane?
2-(4-methylsulfonylphenyl)-6-oxaspiro[2.5]octane has a molecular weight of 266.36 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-6-oxaspiro[2.5]octane is sourced from PubChem (CID 146106285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).