[2-(2-methoxyethoxymethoxy)cyclopropyl]sulfonylbenzene

C13H18O5S — CID 13467763

IUPAC[2-(2-methoxyethoxymethoxy)cyclopropyl]sulfonylbenzene
SMILESCOCCOCOC1CC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H18O5S/c1-16-7-8-17-10-18-12-9-13(12)19(14,15)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
InChIKeyTYDBWNQEMKTHGN-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.24
Rot. Bonds8

About [2-(2-methoxyethoxymethoxy)cyclopropyl]sulfonylbenzene

[2-(2-methoxyethoxymethoxy)cyclopropyl]sulfonylbenzene (PubChem CID 13467763) has the molecular formula C13H18O5S and a molecular weight of 286.35 g/mol. Its IUPAC name is [2-(2-methoxyethoxymethoxy)cyclopropyl]sulfonylbenzene.

Molecular Properties

Compound Name[2-(2-methoxyethoxymethoxy)cyclopropyl]sulfonylbenzene
PubChem CID13467763
Molecular FormulaC13H18O5S
Molecular Weight286.35 g/mol
Exact Mass286.09
IUPAC Name[2-(2-methoxyethoxymethoxy)cyclopropyl]sulfonylbenzene
SMILESCOCCOCOC1CC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H18O5S/c1-16-7-8-17-10-18-12-9-13(12)19(14,15)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
InChIKeyTYDBWNQEMKTHGN-UHFFFAOYSA-N
XLogP1.24
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(Phenylsulfonyl)methyl]oxirane
CID 11356071
2-(Benzenesulfonyl)-3-propyloxirane
CID 14532897
2,2-Dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 85353102
Benzene, ((2,2-dimethoxyethyl)sulfonyl)-
CID 554535
[(3,3,3-Trimethoxypropyl)sulfonyl]benzene
CID 10901794
2-[3-(Benzenesulfonyl)propyl]-1,3-dioxolane
CID 11118676
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane
CID 14593286
[(E)-2-[(1S,2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene
CID 11369195
5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran
CID 14913023
2-[[(E)-2-(benzenesulfonyl)ethenoxy]methyl]oxirane
CID 15480608
1,3-Dioxolane, 2-[2-(phenylsulfonyl)ethyl]-
CID 11096791
(1-Fluoro-2,2-dimethoxyethyl)sulfonylbenzene
CID 14929164

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethoxymethoxy)cyclopropyl]sulfonylbenzene?
The IUPAC name of [2-(2-methoxyethoxymethoxy)cyclopropyl]sulfonylbenzene (CID 13467763) is [2-(2-methoxyethoxymethoxy)cyclopropyl]sulfonylbenzene.
What is the SMILES notation for [2-(2-methoxyethoxymethoxy)cyclopropyl]sulfonylbenzene?
The canonical SMILES for [2-(2-methoxyethoxymethoxy)cyclopropyl]sulfonylbenzene is COCCOCOC1CC1S(=O)(=O)c1ccccc1.
What is the InChIKey of [2-(2-methoxyethoxymethoxy)cyclopropyl]sulfonylbenzene?
The InChIKey is TYDBWNQEMKTHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5S/c1-16-7-8-17-10-18-12-9-13(12)19(14,15)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3.
What are the key properties of [2-(2-methoxyethoxymethoxy)cyclopropyl]sulfonylbenzene?
[2-(2-methoxyethoxymethoxy)cyclopropyl]sulfonylbenzene has a molecular weight of 286.35 g/mol, XLogP of 1.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethoxymethoxy)cyclopropyl]sulfonylbenzene is sourced from PubChem (CID 13467763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).