2-methylsulfonyloxyethyl methanesulfonate

C4H10O6S2 — CID 20796

IUPAC2-methylsulfonyloxyethyl methanesulfonate
SMILESCS(=O)(=O)OCCOS(C)(=O)=O
InChIInChI=1S/C4H10O6S2/c1-11(5,6)9-3-4-10-12(2,7)8/h3-4H2,1-2H3
InChIKeyQSQFARNGNIZGAW-UHFFFAOYSA-N
MW218.25 g/mol
LogP-1.06
Rot. Bonds5

About 2-methylsulfonyloxyethyl methanesulfonate

2-methylsulfonyloxyethyl methanesulfonate (PubChem CID 20796) has the molecular formula C4H10O6S2 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-methylsulfonyloxyethyl methanesulfonate.

Molecular Properties

Compound Name2-methylsulfonyloxyethyl methanesulfonate
PubChem CID20796
Molecular FormulaC4H10O6S2
Molecular Weight218.25 g/mol
Exact Mass217.99
IUPAC Name2-methylsulfonyloxyethyl methanesulfonate
SMILESCS(=O)(=O)OCCOS(C)(=O)=O
InChIInChI=1S/C4H10O6S2/c1-11(5,6)9-3-4-10-12(2,7)8/h3-4H2,1-2H3
InChIKeyQSQFARNGNIZGAW-UHFFFAOYSA-N
XLogP-1.06
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-1.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

Busulfan
CID 2478
1,3-Propanediol, 1,3-dimethanesulfonate
CID 27532
2-Butyne-1,4-diol, 1,4-dimethanesulfonate
CID 18019
2-Methoxyethyl methanesulfonate
CID 146293
2,3-Butanediol, dimethanesulfonate
CID 99909
Methanesulfonic acid, (methylsulfonyl)-, ethyl ester
CID 100725
(~2~H_8_)Butane-1,4-diyl dimethanesulfonate
CID 45038480
Diethylene Glycol Dimethanesulfonate
CID 147571
2-(2-Methoxyethoxy)ethyl methanesulfonate
CID 3815654
1,2-Bis(methanesulfonyloxy)-propane
CID 319059
2-Ethoxyethyl methanesulfonate
CID 15067105
1-Methylsulfonyloxyethyl methanesulfonate
CID 20441290

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyloxyethyl methanesulfonate?
The IUPAC name of 2-methylsulfonyloxyethyl methanesulfonate (CID 20796) is 2-methylsulfonyloxyethyl methanesulfonate.
What is the SMILES notation for 2-methylsulfonyloxyethyl methanesulfonate?
The canonical SMILES for 2-methylsulfonyloxyethyl methanesulfonate is CS(=O)(=O)OCCOS(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyloxyethyl methanesulfonate?
The InChIKey is QSQFARNGNIZGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O6S2/c1-11(5,6)9-3-4-10-12(2,7)8/h3-4H2,1-2H3.
What are the key properties of 2-methylsulfonyloxyethyl methanesulfonate?
2-methylsulfonyloxyethyl methanesulfonate has a molecular weight of 218.25 g/mol, XLogP of -1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyloxyethyl methanesulfonate is sourced from PubChem (CID 20796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).