2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxan-2-ol

C13H18O3S — CID 135060236

IUPAC2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxan-2-ol
SMILESCc1ccc([S@](=O)CC2(O)CCCCO2)cc1
InChIInChI=1S/C13H18O3S/c1-11-4-6-12(7-5-11)17(15)10-13(14)8-2-3-9-16-13/h4-7,14H,2-3,8-10H2,1H3/t13?,17-/m1/s1
InChIKeyBSEJCWOFRRMDPD-LRHAYUFXSA-N
MW254.35 g/mol
LogP1.99
Rot. Bonds3

About 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxan-2-ol

2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxan-2-ol (PubChem CID 135060236) has the molecular formula C13H18O3S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxan-2-ol.

Molecular Properties

Compound Name2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxan-2-ol
PubChem CID135060236
Molecular FormulaC13H18O3S
Molecular Weight254.35 g/mol
Exact Mass254.10
IUPAC Name2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxan-2-ol
SMILESCc1ccc([S@](=O)CC2(O)CCCCO2)cc1
InChIInChI=1S/C13H18O3S/c1-11-4-6-12(7-5-11)17(15)10-13(14)8-2-3-9-16-13/h4-7,14H,2-3,8-10H2,1H3/t13?,17-/m1/s1
InChIKeyBSEJCWOFRRMDPD-LRHAYUFXSA-N
XLogP1.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(p-tolylthio)tetrahydro-2H-pyran-3,4,5-triol
CID 7315241
[(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methanol
CID 134934219
Zqqpczykpljyiy-cvearbpzsa-
CID 11197672
1-[(R)-2-ethoxyethylsulfinyl]-4-methylbenzene
CID 15004745
2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol
CID 15473194
2-(4-Methylphenyl)sulfanyloxane
CID 10104512
4-Methylphenyl 1-thio-alpha-D-mannopyranoside
CID 23635454
2-Methyl-3-((4-methylphenyl)sulfinyl)-1,7-dioxaspiro[5.5]undec-2-ene
CID 386664
(2R,3R)-3-fluoro-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]hept-6-ene-1,2-diol
CID 10518323
(2R,3R)-3-fluoro-2-[(4-methylphenyl)sulfinylmethyl]hept-6-ene-1,2-diol
CID 101025300
4-Fluoro-4-[2-(4-methylphenyl)sulfonylethyl]oxane
CID 90077814
[4-Fluoro-6-(4-methylphenyl)sulfanyloxan-2-yl]methanol
CID 139575685

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxan-2-ol?
The IUPAC name of 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxan-2-ol (CID 135060236) is 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxan-2-ol.
What is the SMILES notation for 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxan-2-ol?
The canonical SMILES for 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxan-2-ol is Cc1ccc([S@](=O)CC2(O)CCCCO2)cc1.
What is the InChIKey of 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxan-2-ol?
The InChIKey is BSEJCWOFRRMDPD-LRHAYUFXSA-N. The full InChI is InChI=1S/C13H18O3S/c1-11-4-6-12(7-5-11)17(15)10-13(14)8-2-3-9-16-13/h4-7,14H,2-3,8-10H2,1H3/t13?,17-/m1/s1.
What are the key properties of 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxan-2-ol?
2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxan-2-ol has a molecular weight of 254.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxan-2-ol is sourced from PubChem (CID 135060236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).