ethane;methanesulfonamide;methyl methanesulfonate;methylsulfanyloxymethane

C7H23NO6S3 — CID 91045448

IUPACethane;methanesulfonamide;methyl methanesulfonate;methylsulfanyloxymethane
SMILESCC.COS(C)(=O)=O.COSC.CS(N)(=O)=O
InChIInChI=1S/C2H6O3S.C2H6OS.C2H6.CH5NO2S/c1-5-6(2,3)4;1-3-4-2;1-2;1-5(2,3)4/h1-2H3;1-2H3;1-2H3;1H3,(H2,2,3,4)
InChIKeyHOXWWTKFPQVZCO-UHFFFAOYSA-N
MW313.46 g/mol
LogP0.43
Rot. Bonds2

About ethane;methanesulfonamide;methyl methanesulfonate;methylsulfanyloxymethane

ethane;methanesulfonamide;methyl methanesulfonate;methylsulfanyloxymethane (PubChem CID 91045448) has the molecular formula C7H23NO6S3 and a molecular weight of 313.46 g/mol. Its IUPAC name is ethane;methanesulfonamide;methyl methanesulfonate;methylsulfanyloxymethane.

Molecular Properties

Compound Nameethane;methanesulfonamide;methyl methanesulfonate;methylsulfanyloxymethane
PubChem CID91045448
Molecular FormulaC7H23NO6S3
Molecular Weight313.46 g/mol
Exact Mass313.07
IUPAC Nameethane;methanesulfonamide;methyl methanesulfonate;methylsulfanyloxymethane
SMILESCC.COS(C)(=O)=O.COSC.CS(N)(=O)=O
InChIInChI=1S/C2H6O3S.C2H6OS.C2H6.CH5NO2S/c1-5-6(2,3)4;1-3-4-2;1-2;1-5(2,3)4/h1-2H3;1-2H3;1-2H3;1H3,(H2,2,3,4)
InChIKeyHOXWWTKFPQVZCO-UHFFFAOYSA-N
XLogP0.43
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

butane;methyl methanesulfonate
CID 174496202
methylimino(oxo)methane;methyl methanesulfonate
CID 87841952
CID 160957536
CID 160957536
methanesulfonamide;dihydrochloride
CID 23102685
(aminosulfonimidoyl)oxymethane
CID 87923018
ethane;sulfamide
CID 161040536
butane-1,4-diol;methyl methanesulfonate
CID 175275162
methanesulfonamide;propane
CID 158760342
gold(1+);methyl sulfate
CID 11965801
methanesulfonamide;propan-2-one
CID 158339378
but-2-yne;methylsulfanyloxymethane
CID 91245975
amino methanesulfonate;hydrochloride
CID 87157730

Frequently Asked Questions

What is the IUPAC name of ethane;methanesulfonamide;methyl methanesulfonate;methylsulfanyloxymethane?
The IUPAC name of ethane;methanesulfonamide;methyl methanesulfonate;methylsulfanyloxymethane (CID 91045448) is ethane;methanesulfonamide;methyl methanesulfonate;methylsulfanyloxymethane.
What is the SMILES notation for ethane;methanesulfonamide;methyl methanesulfonate;methylsulfanyloxymethane?
The canonical SMILES for ethane;methanesulfonamide;methyl methanesulfonate;methylsulfanyloxymethane is CC.COS(C)(=O)=O.COSC.CS(N)(=O)=O.
What is the InChIKey of ethane;methanesulfonamide;methyl methanesulfonate;methylsulfanyloxymethane?
The InChIKey is HOXWWTKFPQVZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3S.C2H6OS.C2H6.CH5NO2S/c1-5-6(2,3)4;1-3-4-2;1-2;1-5(2,3)4/h1-2H3;1-2H3;1-2H3;1H3,(H2,2,3,4).
What are the key properties of ethane;methanesulfonamide;methyl methanesulfonate;methylsulfanyloxymethane?
ethane;methanesulfonamide;methyl methanesulfonate;methylsulfanyloxymethane has a molecular weight of 313.46 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanesulfonamide;methyl methanesulfonate;methylsulfanyloxymethane is sourced from PubChem (CID 91045448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).