(2R,3R)-2-(benzenesulfonyl)-3-[1-(2-methoxyethoxymethoxy)-2-methylpropyl]oxirane

C16H24O6S — CID 134937673

IUPAC(2R,3R)-2-(benzenesulfonyl)-3-[1-(2-methoxyethoxymethoxy)-2-methylpropyl]oxirane
SMILESCOCCOCOC(C(C)C)[C@H]1O[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H24O6S/c1-12(2)14(21-11-20-10-9-19-3)15-16(22-15)23(17,18)13-7-5-4-6-8-13/h4-8,12,14-16H,9-11H2,1-3H3/t14?,15-,16-/m1/s1
InChIKeyDQNWPWAJWUBTLA-ANGDWKNPSA-N
MW344.43 g/mol
LogP1.85
Rot. Bonds10

About (2R,3R)-2-(benzenesulfonyl)-3-[1-(2-methoxyethoxymethoxy)-2-methylpropyl]oxirane

(2R,3R)-2-(benzenesulfonyl)-3-[1-(2-methoxyethoxymethoxy)-2-methylpropyl]oxirane (PubChem CID 134937673) has the molecular formula C16H24O6S and a molecular weight of 344.43 g/mol. Its IUPAC name is (2R,3R)-2-(benzenesulfonyl)-3-[1-(2-methoxyethoxymethoxy)-2-methylpropyl]oxirane.

Molecular Properties

Compound Name(2R,3R)-2-(benzenesulfonyl)-3-[1-(2-methoxyethoxymethoxy)-2-methylpropyl]oxirane
PubChem CID134937673
Molecular FormulaC16H24O6S
Molecular Weight344.43 g/mol
Exact Mass344.13
IUPAC Name(2R,3R)-2-(benzenesulfonyl)-3-[1-(2-methoxyethoxymethoxy)-2-methylpropyl]oxirane
SMILESCOCCOCOC(C(C)C)[C@H]1O[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H24O6S/c1-12(2)14(21-11-20-10-9-19-3)15-16(22-15)23(17,18)13-7-5-4-6-8-13/h4-8,12,14-16H,9-11H2,1-3H3/t14?,15-,16-/m1/s1
InChIKeyDQNWPWAJWUBTLA-ANGDWKNPSA-N
XLogP1.85
TPSA74.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(E)-2-[(1S,2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene
CID 11369195
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-5-butan-2-yloxy-1,4-dioxane
CID 151626620
[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpentyl]sulfonylbenzene
CID 10425254
(4S)-4-(benzenesulfonylmethyl)-2,2,4,6,6-pentamethyl-1,3-dioxane
CID 10567116
(2R,4R)-6-(benzenesulfonylmethyl)-4-methyl-2-propan-2-yloxy-3,4-dihydro-2H-pyran
CID 11109689
[(2R)-4-(benzenesulfonyl)-1-ethoxycarbonyloxybutan-2-yl] ethyl carbonate
CID 11337799
(4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 11832967
[2-(2-Methoxyethoxymethoxy)cyclopropyl]sulfonylbenzene
CID 13467763
2-[1-(Benzenesulfonyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]propan-2-ol
CID 13467776
(5R)-5-[2-(benzenesulfonyl)ethyl]-2,2,4,4-tetramethyl-1,3-dioxolane
CID 15161471
[(E)-3-(2-methoxyethoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene
CID 15935897
1-methyl-4-[(E)-4-methyl-1,1-di(propan-2-yloxy)hept-5-en-3-yl]sulfonylbenzene
CID 44521254

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(benzenesulfonyl)-3-[1-(2-methoxyethoxymethoxy)-2-methylpropyl]oxirane?
The IUPAC name of (2R,3R)-2-(benzenesulfonyl)-3-[1-(2-methoxyethoxymethoxy)-2-methylpropyl]oxirane (CID 134937673) is (2R,3R)-2-(benzenesulfonyl)-3-[1-(2-methoxyethoxymethoxy)-2-methylpropyl]oxirane.
What is the SMILES notation for (2R,3R)-2-(benzenesulfonyl)-3-[1-(2-methoxyethoxymethoxy)-2-methylpropyl]oxirane?
The canonical SMILES for (2R,3R)-2-(benzenesulfonyl)-3-[1-(2-methoxyethoxymethoxy)-2-methylpropyl]oxirane is COCCOCOC(C(C)C)[C@H]1O[C@@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2R,3R)-2-(benzenesulfonyl)-3-[1-(2-methoxyethoxymethoxy)-2-methylpropyl]oxirane?
The InChIKey is DQNWPWAJWUBTLA-ANGDWKNPSA-N. The full InChI is InChI=1S/C16H24O6S/c1-12(2)14(21-11-20-10-9-19-3)15-16(22-15)23(17,18)13-7-5-4-6-8-13/h4-8,12,14-16H,9-11H2,1-3H3/t14?,15-,16-/m1/s1.
What are the key properties of (2R,3R)-2-(benzenesulfonyl)-3-[1-(2-methoxyethoxymethoxy)-2-methylpropyl]oxirane?
(2R,3R)-2-(benzenesulfonyl)-3-[1-(2-methoxyethoxymethoxy)-2-methylpropyl]oxirane has a molecular weight of 344.43 g/mol, XLogP of 1.85, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(benzenesulfonyl)-3-[1-(2-methoxyethoxymethoxy)-2-methylpropyl]oxirane is sourced from PubChem (CID 134937673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).