N,N-dimethylmethanamine;ethanol;hydroxy-methyl-methylidene-oxo-λ6-sulfane;methoxymethane;methylsulfonylmethane

C11H33NO6S2 — CID 160834709

IUPACN,N-dimethylmethanamine;ethanol;hydroxy-methyl-methylidene-oxo-λ6-sulfane;methoxymethane;methylsulfonylmethane
SMILESC=S(C)(=O)O.CCO.CN(C)C.COC.CS(C)(=O)=O
InChIInChI=1S/C3H9N.2C2H6O2S.2C2H6O/c1-4(2)3;2*1-5(2,3)4;1-3-2;1-2-3/h1-3H3;1-2H3;1H2,2H3,(H,3,4);1-2H3;3H,2H2,1H3
InChIKeySHGLHXFYVGOYRU-UHFFFAOYSA-N
MW339.52 g/mol
LogP-0.09
Rot. Bonds

About N,N-dimethylmethanamine;ethanol;hydroxy-methyl-methylidene-oxo-λ6-sulfane;methoxymethane;methylsulfonylmethane

N,N-dimethylmethanamine;ethanol;hydroxy-methyl-methylidene-oxo-λ6-sulfane;methoxymethane;methylsulfonylmethane (PubChem CID 160834709) has the molecular formula C11H33NO6S2 and a molecular weight of 339.52 g/mol. Its IUPAC name is N,N-dimethylmethanamine;ethanol;hydroxy-methyl-methylidene-oxo-λ6-sulfane;methoxymethane;methylsulfonylmethane.

Molecular Properties

Compound NameN,N-dimethylmethanamine;ethanol;hydroxy-methyl-methylidene-oxo-λ6-sulfane;methoxymethane;methylsulfonylmethane
PubChem CID160834709
Molecular FormulaC11H33NO6S2
Molecular Weight339.52 g/mol
Exact Mass339.17
IUPAC NameN,N-dimethylmethanamine;ethanol;hydroxy-methyl-methylidene-oxo-λ6-sulfane;methoxymethane;methylsulfonylmethane
SMILESC=S(C)(=O)O.CCO.CN(C)C.COC.CS(C)(=O)=O
InChIInChI=1S/C3H9N.2C2H6O2S.2C2H6O/c1-4(2)3;2*1-5(2,3)4;1-3-2;1-2-3/h1-3H3;1-2H3;1H2,2H3,(H,3,4);1-2H3;3H,2H2,1H3
InChIKeySHGLHXFYVGOYRU-UHFFFAOYSA-N
XLogP-0.09
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethanol;iron;sulfuric acid
CID 174907324
ethanol;sulfuric acid;hydrate
CID 86634241
ethanol;silver;sulfuric acid
CID 174392237
ethanol;methanamine;sulfuric acid
CID 174912363
ethanol;hydrazine;sulfuric acid
CID 158277284
bis(N,N-dimethylmethanamine);dimethyl sulfate;sulfuric acid
CID 174527843
N-ethyl-N-methylethanamine;methanesulfonic acid
CID 121235737
1-ethylsulfonylethane;methoxymethane
CID 174793539
azane;ethanol;sulfurothioic O-acid
CID 175527325
N,N-dimethylmethanamine;methyl hydrogen sulfate;N-methylpropan-1-amine
CID 174472980
ethanol;ruthenium
CID 150841781
ethanol;ruthenium
CID 157358792

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;ethanol;hydroxy-methyl-methylidene-oxo-λ6-sulfane;methoxymethane;methylsulfonylmethane?
The IUPAC name of N,N-dimethylmethanamine;ethanol;hydroxy-methyl-methylidene-oxo-λ6-sulfane;methoxymethane;methylsulfonylmethane (CID 160834709) is N,N-dimethylmethanamine;ethanol;hydroxy-methyl-methylidene-oxo-λ6-sulfane;methoxymethane;methylsulfonylmethane.
What is the SMILES notation for N,N-dimethylmethanamine;ethanol;hydroxy-methyl-methylidene-oxo-λ6-sulfane;methoxymethane;methylsulfonylmethane?
The canonical SMILES for N,N-dimethylmethanamine;ethanol;hydroxy-methyl-methylidene-oxo-λ6-sulfane;methoxymethane;methylsulfonylmethane is C=S(C)(=O)O.CCO.CN(C)C.COC.CS(C)(=O)=O.
What is the InChIKey of N,N-dimethylmethanamine;ethanol;hydroxy-methyl-methylidene-oxo-λ6-sulfane;methoxymethane;methylsulfonylmethane?
The InChIKey is SHGLHXFYVGOYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.2C2H6O2S.2C2H6O/c1-4(2)3;2*1-5(2,3)4;1-3-2;1-2-3/h1-3H3;1-2H3;1H2,2H3,(H,3,4);1-2H3;3H,2H2,1H3.
What are the key properties of N,N-dimethylmethanamine;ethanol;hydroxy-methyl-methylidene-oxo-λ6-sulfane;methoxymethane;methylsulfonylmethane?
N,N-dimethylmethanamine;ethanol;hydroxy-methyl-methylidene-oxo-λ6-sulfane;methoxymethane;methylsulfonylmethane has a molecular weight of 339.52 g/mol, XLogP of -0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;ethanol;hydroxy-methyl-methylidene-oxo-λ6-sulfane;methoxymethane;methylsulfonylmethane is sourced from PubChem (CID 160834709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).