(2R,4R,5R)-4-(benzenesulfonyl)-2-phenyl-1,10-dioxaspiro[4.5]decan-6-one

C20H20O5S — CID 11025113

IUPAC(2R,4R,5R)-4-(benzenesulfonyl)-2-phenyl-1,10-dioxaspiro[4.5]decan-6-one
SMILESO=C1CCCO[C@@]12O[C@@H](c1ccccc1)C[C@H]2S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H20O5S/c21-18-12-7-13-24-20(18)19(26(22,23)16-10-5-2-6-11-16)14-17(25-20)15-8-3-1-4-9-15/h1-6,8-11,17,19H,7,12-14H2/t17-,19-,20-/m1/s1
InChIKeySQZIIWKFWRFUOH-MISYRCLQSA-N
MW372.44 g/mol
LogP3.07
Rot. Bonds3

About (2R,4R,5R)-4-(benzenesulfonyl)-2-phenyl-1,10-dioxaspiro[4.5]decan-6-one

(2R,4R,5R)-4-(benzenesulfonyl)-2-phenyl-1,10-dioxaspiro[4.5]decan-6-one (PubChem CID 11025113) has the molecular formula C20H20O5S and a molecular weight of 372.44 g/mol. Its IUPAC name is (2R,4R,5R)-4-(benzenesulfonyl)-2-phenyl-1,10-dioxaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(2R,4R,5R)-4-(benzenesulfonyl)-2-phenyl-1,10-dioxaspiro[4.5]decan-6-one
PubChem CID11025113
Molecular FormulaC20H20O5S
Molecular Weight372.44 g/mol
Exact Mass372.10
IUPAC Name(2R,4R,5R)-4-(benzenesulfonyl)-2-phenyl-1,10-dioxaspiro[4.5]decan-6-one
SMILESO=C1CCCO[C@@]12O[C@@H](c1ccccc1)C[C@H]2S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H20O5S/c21-18-12-7-13-24-20(18)19(26(22,23)16-10-5-2-6-11-16)14-17(25-20)15-8-3-1-4-9-15/h1-6,8-11,17,19H,7,12-14H2/t17-,19-,20-/m1/s1
InChIKeySQZIIWKFWRFUOH-MISYRCLQSA-N
XLogP3.07
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,4R,5R)-4-(benzenesulfonyl)-2-phenyl-1,10-dioxaspiro[4.5]decan-6-one with MolForge

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Launch Full Analysis

Related Compounds

2-(benzenesulfinyl)-3-[(4S,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]-1-[(4R,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propan-1-one
CID 10507544
2-(Benzenesulfonyl)-5-phenyloxolan-3-one
CID 11301102
4-(Benzenesulfonyl)-5-phenyloxolan-2-one
CID 13865192
4-(Benzenesulfonyl)-6-phenyloxan-2-one
CID 14056125
5-(Benzenesulfonyl)-6-phenyloxan-2-one
CID 15920907
(4S,5S)-2,2-dimethyl-4-(4-methylphenyl)sulfonyl-5-phenyloxolan-3-one
CID 122363978
Benzhydryl 2-(benzenesulfonyl)-5-oxooxolane-2-carboxylate
CID 14798628
(2R,6R)-2-(benzenesulfonylmethyl)-6-phenyloxan-3-one
CID 10616424
(4R,5R)-2-[2-(1,3-dioxan-2-yl)ethyl]-2-methyl-5-phenyl-4-phenylsulfanyloxolan-3-one
CID 10668574
(2S,6R)-2-(benzenesulfonylmethyl)-6-phenyloxan-3-one
CID 10853895
(1R,4S,5S)-1-(benzenesulfonyl)-4-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 10935927
[(E,4S)-4-[1-(benzenesulfonyl)-2-oxononan-3-yl]oxy-6-phenylmethoxyhex-2-enyl] ethyl carbonate
CID 10962869

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-4-(benzenesulfonyl)-2-phenyl-1,10-dioxaspiro[4.5]decan-6-one?
The IUPAC name of (2R,4R,5R)-4-(benzenesulfonyl)-2-phenyl-1,10-dioxaspiro[4.5]decan-6-one (CID 11025113) is (2R,4R,5R)-4-(benzenesulfonyl)-2-phenyl-1,10-dioxaspiro[4.5]decan-6-one.
What is the SMILES notation for (2R,4R,5R)-4-(benzenesulfonyl)-2-phenyl-1,10-dioxaspiro[4.5]decan-6-one?
The canonical SMILES for (2R,4R,5R)-4-(benzenesulfonyl)-2-phenyl-1,10-dioxaspiro[4.5]decan-6-one is O=C1CCCO[C@@]12O[C@@H](c1ccccc1)C[C@H]2S(=O)(=O)c1ccccc1.
What is the InChIKey of (2R,4R,5R)-4-(benzenesulfonyl)-2-phenyl-1,10-dioxaspiro[4.5]decan-6-one?
The InChIKey is SQZIIWKFWRFUOH-MISYRCLQSA-N. The full InChI is InChI=1S/C20H20O5S/c21-18-12-7-13-24-20(18)19(26(22,23)16-10-5-2-6-11-16)14-17(25-20)15-8-3-1-4-9-15/h1-6,8-11,17,19H,7,12-14H2/t17-,19-,20-/m1/s1.
What are the key properties of (2R,4R,5R)-4-(benzenesulfonyl)-2-phenyl-1,10-dioxaspiro[4.5]decan-6-one?
(2R,4R,5R)-4-(benzenesulfonyl)-2-phenyl-1,10-dioxaspiro[4.5]decan-6-one has a molecular weight of 372.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-4-(benzenesulfonyl)-2-phenyl-1,10-dioxaspiro[4.5]decan-6-one is sourced from PubChem (CID 11025113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).