(2R,3S)-4,4-diethyl-2-(4-methylphenyl)sulfonyloxolan-3-ol

C15H22O4S — CID 101107088

IUPAC(2R,3S)-4,4-diethyl-2-(4-methylphenyl)sulfonyloxolan-3-ol
SMILESCCC1(CC)CO[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1O
InChIInChI=1S/C15H22O4S/c1-4-15(5-2)10-19-14(13(15)16)20(17,18)12-8-6-11(3)7-9-12/h6-9,13-14,16H,4-5,10H2,1-3H3/t13-,14-/m1/s1
InChIKeyUGUYMUMTVQXLKP-ZIAGYGMSSA-N
MW298.40 g/mol
LogP2.29
Rot. Bonds4

About (2R,3S)-4,4-diethyl-2-(4-methylphenyl)sulfonyloxolan-3-ol

(2R,3S)-4,4-diethyl-2-(4-methylphenyl)sulfonyloxolan-3-ol (PubChem CID 101107088) has the molecular formula C15H22O4S and a molecular weight of 298.40 g/mol. Its IUPAC name is (2R,3S)-4,4-diethyl-2-(4-methylphenyl)sulfonyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-4,4-diethyl-2-(4-methylphenyl)sulfonyloxolan-3-ol
PubChem CID101107088
Molecular FormulaC15H22O4S
Molecular Weight298.40 g/mol
Exact Mass298.12
IUPAC Name(2R,3S)-4,4-diethyl-2-(4-methylphenyl)sulfonyloxolan-3-ol
SMILESCCC1(CC)CO[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1O
InChIInChI=1S/C15H22O4S/c1-4-15(5-2)10-19-14(13(15)16)20(17,18)12-8-6-11(3)7-9-12/h6-9,13-14,16H,4-5,10H2,1-3H3/t13-,14-/m1/s1
InChIKeyUGUYMUMTVQXLKP-ZIAGYGMSSA-N
XLogP2.29
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropyl]methanol
CID 99999694
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methylphenyl)sulfonyloxane-3,4,5-triol
CID 131866199
trans-ethyl (1R,2R)-1-amino-2-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate
CID 99999559
(2S,3R)-2-(4-methylphenyl)sulfonyl-3-pentyloxirane
CID 15316045
cis-ethyl (1R,2S)-1-(aminomethyl)-2-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate
CID 99999528
cis-(1S,2S)-1-(methoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropan-1-amine
CID 99999781
(2S,3S)-2-(4-methylphenyl)sulfonyl-3-phenyloxirane
CID 102316632
trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol
CID 13212964
trans-(1R,2S)-1-(methoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropane-1-carbothioamide
CID 99999847
trans-(1S,2S)-1-(hydroxymethyl)-2-(4-methylphenyl)sulfonylcyclopropane-1-carbonitrile
CID 99999413
4-methylbenzenesulfonic acid;[(2R)-oxiran-2-yl]methanol
CID 122197608
trans-(1S,2R)-1-(ethoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropan-1-amine
CID 99999804

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4,4-diethyl-2-(4-methylphenyl)sulfonyloxolan-3-ol?
The IUPAC name of (2R,3S)-4,4-diethyl-2-(4-methylphenyl)sulfonyloxolan-3-ol (CID 101107088) is (2R,3S)-4,4-diethyl-2-(4-methylphenyl)sulfonyloxolan-3-ol.
What is the SMILES notation for (2R,3S)-4,4-diethyl-2-(4-methylphenyl)sulfonyloxolan-3-ol?
The canonical SMILES for (2R,3S)-4,4-diethyl-2-(4-methylphenyl)sulfonyloxolan-3-ol is CCC1(CC)CO[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1O.
What is the InChIKey of (2R,3S)-4,4-diethyl-2-(4-methylphenyl)sulfonyloxolan-3-ol?
The InChIKey is UGUYMUMTVQXLKP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H22O4S/c1-4-15(5-2)10-19-14(13(15)16)20(17,18)12-8-6-11(3)7-9-12/h6-9,13-14,16H,4-5,10H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of (2R,3S)-4,4-diethyl-2-(4-methylphenyl)sulfonyloxolan-3-ol?
(2R,3S)-4,4-diethyl-2-(4-methylphenyl)sulfonyloxolan-3-ol has a molecular weight of 298.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4,4-diethyl-2-(4-methylphenyl)sulfonyloxolan-3-ol is sourced from PubChem (CID 101107088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).