(2R,3S,5R)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-5-[(1S)-1-methoxyethyl]-3-methyloxolane

C17H26O4S — CID 11067376

IUPAC(2R,3S,5R)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-5-[(1S)-1-methoxyethyl]-3-methyloxolane
SMILESCO[C@@H](C)[C@H]1C[C@H](C)[C@H]([C@@H](C)CS(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C17H26O4S/c1-12-10-16(14(3)20-4)21-17(12)13(2)11-22(18,19)15-8-6-5-7-9-15/h5-9,12-14,16-17H,10-11H2,1-4H3/t12-,13-,14-,16+,17+/m0/s1
InChIKeyDETKHALWKZNSEH-WLRQEKSISA-N
MW326.46 g/mol
LogP2.92
Rot. Bonds6

About (2R,3S,5R)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-5-[(1S)-1-methoxyethyl]-3-methyloxolane

(2R,3S,5R)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-5-[(1S)-1-methoxyethyl]-3-methyloxolane (PubChem CID 11067376) has the molecular formula C17H26O4S and a molecular weight of 326.46 g/mol. Its IUPAC name is (2R,3S,5R)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-5-[(1S)-1-methoxyethyl]-3-methyloxolane.

Molecular Properties

Compound Name(2R,3S,5R)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-5-[(1S)-1-methoxyethyl]-3-methyloxolane
PubChem CID11067376
Molecular FormulaC17H26O4S
Molecular Weight326.46 g/mol
Exact Mass326.16
IUPAC Name(2R,3S,5R)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-5-[(1S)-1-methoxyethyl]-3-methyloxolane
SMILESCO[C@@H](C)[C@H]1C[C@H](C)[C@H]([C@@H](C)CS(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C17H26O4S/c1-12-10-16(14(3)20-4)21-17(12)13(2)11-22(18,19)15-8-6-5-7-9-15/h5-9,12-14,16-17H,10-11H2,1-4H3/t12-,13-,14-,16+,17+/m0/s1
InChIKeyDETKHALWKZNSEH-WLRQEKSISA-N
XLogP2.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,3S,5R)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-5-[(1S)-1-methoxyethyl]-3-methyloxolane with MolForge

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Related Compounds

[(2S,3S,5R,6S,11R)-5-(benzenesulfonyl)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methanol
CID 44303478
(3R,4R,5R)-2-(benzenesulfonylmethyl)-5-(dimethoxymethyl)-3,4-dimethyloxolan-2-ol
CID 11824127
(S)-3-((2R,3R,4R,5S)-5-Allyl-3-hydroxy-4-((phenylsulfonyl)methyl)tetrahydrofuran-2-yl)propane-1,2-diol
CID 58077742
[(2S)-1-[(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-3-methoxy-5-prop-2-enyloxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane
CID 58991065
(2R,3S,6R,8S,9R)-2-[(2S)-1-(benzenesulfonyl)propan-2-yl]-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecane
CID 10939278
[(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane
CID 11133706
(2S,8R)-2-(2-methoxyethyl)-8-(methoxymethyl)-5-(4-methylphenyl)sulfonyloxocane
CID 11728375
(2R,3S)-5-(benzenesulfonyl)-2-[(2S)-but-3-en-2-yl]-3-methyloxolane
CID 11822031
[3-(Benzenesulfonyl)-2-methyldodecan-4-yl] acetate
CID 13265392
[4-(Benzenesulfonyl)-5-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hexan-3-yl] acetate
CID 13265393
(4R,6R)-4-(benzenesulfinyl)-6-methyl-1,10-dioxaspiro[4.5]decane
CID 13924998
(2R,3S)-6-(benzenesulfonyl)-2-[(2S)-butan-2-yl]-3-methyloxane
CID 14608964

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-5-[(1S)-1-methoxyethyl]-3-methyloxolane?
The IUPAC name of (2R,3S,5R)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-5-[(1S)-1-methoxyethyl]-3-methyloxolane (CID 11067376) is (2R,3S,5R)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-5-[(1S)-1-methoxyethyl]-3-methyloxolane.
What is the SMILES notation for (2R,3S,5R)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-5-[(1S)-1-methoxyethyl]-3-methyloxolane?
The canonical SMILES for (2R,3S,5R)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-5-[(1S)-1-methoxyethyl]-3-methyloxolane is CO[C@@H](C)[C@H]1C[C@H](C)[C@H]([C@@H](C)CS(=O)(=O)c2ccccc2)O1.
What is the InChIKey of (2R,3S,5R)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-5-[(1S)-1-methoxyethyl]-3-methyloxolane?
The InChIKey is DETKHALWKZNSEH-WLRQEKSISA-N. The full InChI is InChI=1S/C17H26O4S/c1-12-10-16(14(3)20-4)21-17(12)13(2)11-22(18,19)15-8-6-5-7-9-15/h5-9,12-14,16-17H,10-11H2,1-4H3/t12-,13-,14-,16+,17+/m0/s1.
What are the key properties of (2R,3S,5R)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-5-[(1S)-1-methoxyethyl]-3-methyloxolane?
(2R,3S,5R)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-5-[(1S)-1-methoxyethyl]-3-methyloxolane has a molecular weight of 326.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-5-[(1S)-1-methoxyethyl]-3-methyloxolane is sourced from PubChem (CID 11067376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).