1-methoxy-2-(methylsulfonylmethylsulfonyl)ethane

C5H12O5S2 — CID 89393104

IUPAC1-methoxy-2-(methylsulfonylmethylsulfonyl)ethane
SMILESCOCCS(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C5H12O5S2/c1-10-3-4-12(8,9)5-11(2,6)7/h3-5H2,1-2H3
InChIKeyJUDBPWQSIPJABI-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.95
Rot. Bonds5

About 1-methoxy-2-(methylsulfonylmethylsulfonyl)ethane

1-methoxy-2-(methylsulfonylmethylsulfonyl)ethane (PubChem CID 89393104) has the molecular formula C5H12O5S2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-methoxy-2-(methylsulfonylmethylsulfonyl)ethane.

Molecular Properties

Compound Name1-methoxy-2-(methylsulfonylmethylsulfonyl)ethane
PubChem CID89393104
Molecular FormulaC5H12O5S2
Molecular Weight216.28 g/mol
Exact Mass216.01
IUPAC Name1-methoxy-2-(methylsulfonylmethylsulfonyl)ethane
SMILESCOCCS(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C5H12O5S2/c1-10-3-4-12(8,9)5-11(2,6)7/h3-5H2,1-2H3
InChIKeyJUDBPWQSIPJABI-UHFFFAOYSA-N
XLogP-0.95
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(methylsulfonylmethylsulfonyl)ethane?
The IUPAC name of 1-methoxy-2-(methylsulfonylmethylsulfonyl)ethane (CID 89393104) is 1-methoxy-2-(methylsulfonylmethylsulfonyl)ethane.
What is the SMILES notation for 1-methoxy-2-(methylsulfonylmethylsulfonyl)ethane?
The canonical SMILES for 1-methoxy-2-(methylsulfonylmethylsulfonyl)ethane is COCCS(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of 1-methoxy-2-(methylsulfonylmethylsulfonyl)ethane?
The InChIKey is JUDBPWQSIPJABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O5S2/c1-10-3-4-12(8,9)5-11(2,6)7/h3-5H2,1-2H3.
What are the key properties of 1-methoxy-2-(methylsulfonylmethylsulfonyl)ethane?
1-methoxy-2-(methylsulfonylmethylsulfonyl)ethane has a molecular weight of 216.28 g/mol, XLogP of -0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(methylsulfonylmethylsulfonyl)ethane is sourced from PubChem (CID 89393104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).