[(1S,2R)-1-(benzenesulfonyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]-tributylstannane

C25H44O5SSn — CID 11006336

IUPAC[(1S,2R)-1-(benzenesulfonyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)[C@@]1(S(=O)(=O)c2ccccc2)C[C@H]1OCOCCOC
InChIInChI=1S/C13H17O5S.3C4H9.Sn/c1-16-7-8-17-10-18-12-9-13(12)19(14,15)11-5-3-2-4-6-11;3*1-3-4-2;/h2-6,12H,7-10H2,1H3;3*1,3-4H2,2H3;/t12-;;;;/m1..../s1
InChIKeyMYAARVHMUWSMNL-HHUWXINPSA-N
MW575.40 g/mol
LogP6.00
Rot. Bonds18

About [(1S,2R)-1-(benzenesulfonyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]-tributylstannane

[(1S,2R)-1-(benzenesulfonyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]-tributylstannane (PubChem CID 11006336) has the molecular formula C25H44O5SSn and a molecular weight of 575.40 g/mol. Its IUPAC name is [(1S,2R)-1-(benzenesulfonyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]-tributylstannane.

Molecular Properties

Compound Name[(1S,2R)-1-(benzenesulfonyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]-tributylstannane
PubChem CID11006336
Molecular FormulaC25H44O5SSn
Molecular Weight575.40 g/mol
Exact Mass576.19
IUPAC Name[(1S,2R)-1-(benzenesulfonyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)[C@@]1(S(=O)(=O)c2ccccc2)C[C@H]1OCOCCOC
InChIInChI=1S/C13H17O5S.3C4H9.Sn/c1-16-7-8-17-10-18-12-9-13(12)19(14,15)11-5-3-2-4-6-11;3*1-3-4-2;/h2-6,12H,7-10H2,1H3;3*1,3-4H2,2H3;/t12-;;;;/m1..../s1
InChIKeyMYAARVHMUWSMNL-HHUWXINPSA-N
XLogP6.00
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.40
LogP ≤ 56.00
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

[(1R,2R)-1-(benzenesulfinyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]methylbenzene
CID 11451253
1-[(1S,2S)-1-(benzenesulfonyl)-2-methylcyclopropyl]octan-1-one
CID 102122716
[(E,3S)-3-(2-methoxyethoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene
CID 15935898
CID 161209831
CID 161209831
2-methoxyethoxymethyl benzoate
CID 11275823
CID 157196428
CID 157196428
CID 159146829
CID 159146829
CID 172858891
CID 172858891
hexadecyl benzenesulfonate
CID 5238354
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butane;methyl benzoate
CID 146469280
trans-methyl (1R,2S)-2-phenyl-1-(4-tributylstannylphenyl)cyclopropane-1-carboxylate
CID 11842872
cis-methyl (1S,2R)-2-butoxy-1-phenylcyclopropane-1-carboxylate
CID 15482916

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-(benzenesulfonyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]-tributylstannane?
The IUPAC name of [(1S,2R)-1-(benzenesulfonyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]-tributylstannane (CID 11006336) is [(1S,2R)-1-(benzenesulfonyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]-tributylstannane.
What is the SMILES notation for [(1S,2R)-1-(benzenesulfonyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]-tributylstannane?
The canonical SMILES for [(1S,2R)-1-(benzenesulfonyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]-tributylstannane is CCCC[Sn](CCCC)(CCCC)[C@@]1(S(=O)(=O)c2ccccc2)C[C@H]1OCOCCOC.
What is the InChIKey of [(1S,2R)-1-(benzenesulfonyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]-tributylstannane?
The InChIKey is MYAARVHMUWSMNL-HHUWXINPSA-N. The full InChI is InChI=1S/C13H17O5S.3C4H9.Sn/c1-16-7-8-17-10-18-12-9-13(12)19(14,15)11-5-3-2-4-6-11;3*1-3-4-2;/h2-6,12H,7-10H2,1H3;3*1,3-4H2,2H3;/t12-;;;;/m1..../s1.
What are the key properties of [(1S,2R)-1-(benzenesulfonyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]-tributylstannane?
[(1S,2R)-1-(benzenesulfonyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]-tributylstannane has a molecular weight of 575.40 g/mol, XLogP of 6.00, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1-(benzenesulfonyl)-2-(2-methoxyethoxymethoxy)cyclopropyl]-tributylstannane is sourced from PubChem (CID 11006336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).