methyl 2-methylsulfonyloxyethanesulfonate

C4H10O6S2 — CID 170321655

IUPACmethyl 2-methylsulfonyloxyethanesulfonate
SMILESCOS(=O)(=O)CCOS(C)(=O)=O
InChIInChI=1S/C4H10O6S2/c1-9-12(7,8)4-3-10-11(2,5)6/h3-4H2,1-2H3
InChIKeyNZQNFEKVCAZXJM-UHFFFAOYSA-N
MW218.25 g/mol
LogP-1.06
Rot. Bonds5

About methyl 2-methylsulfonyloxyethanesulfonate

methyl 2-methylsulfonyloxyethanesulfonate (PubChem CID 170321655) has the molecular formula C4H10O6S2 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl 2-methylsulfonyloxyethanesulfonate.

Molecular Properties

Compound Namemethyl 2-methylsulfonyloxyethanesulfonate
PubChem CID170321655
Molecular FormulaC4H10O6S2
Molecular Weight218.25 g/mol
Exact Mass217.99
IUPAC Namemethyl 2-methylsulfonyloxyethanesulfonate
SMILESCOS(=O)(=O)CCOS(C)(=O)=O
InChIInChI=1S/C4H10O6S2/c1-9-12(7,8)4-3-10-11(2,5)6/h3-4H2,1-2H3
InChIKeyNZQNFEKVCAZXJM-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': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

chromium;4-methylsulfonyloxybutyl methanesulfonate
CID 174784786
methyl 3-methoxypropane-1-sulfonate
CID 59109575
3-methoxypropyl methanesulfonate
CID 11693963
butane;methyl methanesulfonate
CID 174496202
2-(2-methoxyethoxy)ethyl methanesulfonate
CID 3815654
ethylsulfonyloxy 3-methylsulfonyloxypropane-1-sulfonate
CID 141029816
2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]ethyl methanesulfonate
CID 172605839
ethanamine;propyl methanesulfonate
CID 91463182
9-(methylamino)nonyl methanesulfonate
CID 122424861
2-[(2-methylpropan-2-yl)oxy]ethyl methanesulfonate
CID 18464924
3,3-difluoropropyl methanesulfonate
CID 150016360
methane;pentyl methanesulfonate
CID 158804088

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylsulfonyloxyethanesulfonate?
The IUPAC name of methyl 2-methylsulfonyloxyethanesulfonate (CID 170321655) is methyl 2-methylsulfonyloxyethanesulfonate.
What is the SMILES notation for methyl 2-methylsulfonyloxyethanesulfonate?
The canonical SMILES for methyl 2-methylsulfonyloxyethanesulfonate is COS(=O)(=O)CCOS(C)(=O)=O.
What is the InChIKey of methyl 2-methylsulfonyloxyethanesulfonate?
The InChIKey is NZQNFEKVCAZXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O6S2/c1-9-12(7,8)4-3-10-11(2,5)6/h3-4H2,1-2H3.
What are the key properties of methyl 2-methylsulfonyloxyethanesulfonate?
methyl 2-methylsulfonyloxyethanesulfonate 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 methyl 2-methylsulfonyloxyethanesulfonate is sourced from PubChem (CID 170321655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).