2-(benzenesulfinyl)-3,4,5-trimethoxy-6-(methoxymethyl)oxane

C16H24O6S — CID 72966438

IUPAC2-(benzenesulfinyl)-3,4,5-trimethoxy-6-(methoxymethyl)oxane
SMILESCOCC1OC(S(=O)c2ccccc2)C(OC)C(OC)C1OC
InChIInChI=1S/C16H24O6S/c1-18-10-12-13(19-2)14(20-3)15(21-4)16(22-12)23(17)11-8-6-5-7-9-11/h5-9,12-16H,10H2,1-4H3
InChIKeyQOSRDJGTZGPDCZ-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.21
Rot. Bonds7

About 2-(benzenesulfinyl)-3,4,5-trimethoxy-6-(methoxymethyl)oxane

2-(benzenesulfinyl)-3,4,5-trimethoxy-6-(methoxymethyl)oxane (PubChem CID 72966438) has the molecular formula C16H24O6S and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-3,4,5-trimethoxy-6-(methoxymethyl)oxane.

Molecular Properties

Compound Name2-(benzenesulfinyl)-3,4,5-trimethoxy-6-(methoxymethyl)oxane
PubChem CID72966438
Molecular FormulaC16H24O6S
Molecular Weight344.43 g/mol
Exact Mass344.13
IUPAC Name2-(benzenesulfinyl)-3,4,5-trimethoxy-6-(methoxymethyl)oxane
SMILESCOCC1OC(S(=O)c2ccccc2)C(OC)C(OC)C1OC
InChIInChI=1S/C16H24O6S/c1-18-10-12-13(19-2)14(20-3)15(21-4)16(22-12)23(17)11-8-6-5-7-9-11/h5-9,12-16H,10H2,1-4H3
InChIKeyQOSRDJGTZGPDCZ-UHFFFAOYSA-N
XLogP1.21
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(benzenesulfinyl)-3,4,5-trimethoxy-6-(methoxymethyl)oxane 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

alpha-D-Glucopyranoside, phenyl 1-thio-, tetraacetate
CID 279081
phenyl thio-beta-D-galactopyranoside
CID 2802071
Npc265687
CID 6364823
beta-D-Glucopyranose, 1-deoxy-1-(phenylsulfonyl)-, tetraacetate
CID 2728906
alpha-D-Glucopyranoside, phenyl 1-thio-
CID 54171670
Phenyl beta-D-thiogalactopyranoside
CID 314404
(2S,3S,4S,5S,6S)-2-(benzenesulfonylmethyl)-6-methoxyoxane-3,4,5-triol
CID 127028585
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-sulfamoylphenyl)sulfonyloxan-2-yl]methyl acetate
CID 172455754
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-sulfamoylphenyl)sulfonyloxan-2-yl]methyl acetate
CID 172461589
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-sulfamoylphenyl)sulfanyloxan-2-yl]methyl acetate
CID 172465567
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-sulfamoylphenyl)sulfanyloxan-2-yl]methyl acetate
CID 172468272
[(2S,3S,4S,5S,6R)-4,5-diacetyloxy-2-(fluoromethyl)-6-phenylsulfanyloxan-3-yl] acetate
CID 101433829

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
The IUPAC name of 2-(benzenesulfinyl)-3,4,5-trimethoxy-6-(methoxymethyl)oxane (CID 72966438) is 2-(benzenesulfinyl)-3,4,5-trimethoxy-6-(methoxymethyl)oxane.
What is the SMILES notation for 2-(benzenesulfinyl)-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
The canonical SMILES for 2-(benzenesulfinyl)-3,4,5-trimethoxy-6-(methoxymethyl)oxane is COCC1OC(S(=O)c2ccccc2)C(OC)C(OC)C1OC.
What is the InChIKey of 2-(benzenesulfinyl)-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
The InChIKey is QOSRDJGTZGPDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O6S/c1-18-10-12-13(19-2)14(20-3)15(21-4)16(22-12)23(17)11-8-6-5-7-9-11/h5-9,12-16H,10H2,1-4H3.
What are the key properties of 2-(benzenesulfinyl)-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
2-(benzenesulfinyl)-3,4,5-trimethoxy-6-(methoxymethyl)oxane has a molecular weight of 344.43 g/mol, XLogP of 1.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-3,4,5-trimethoxy-6-(methoxymethyl)oxane is sourced from PubChem (CID 72966438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).