methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;N-methylmethanamine;methylsulfanylmethane;propan-2-one

C18H44N2O6S2 — CID 158787534

IUPACmethoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;N-methylmethanamine;methylsulfanylmethane;propan-2-one
SMILESCC(C)=O.CNC.CNC(C)=O.COC.COC(C)=O.CSC.CSC(C)=O
InChIInChI=1S/C3H7NO.C3H6O2.C3H6OS.C3H6O.C2H7N.C2H6O.C2H6S/c1-3(5)4-2;2*1-3(4)5-2;1-3(2)4;3*1-3-2/h1-2H3,(H,4,5);2*1-2H3;1-2H3;3H,1-2H3;2*1-2H3
InChIKeyIRWIMXGQFVKWKU-UHFFFAOYSA-N
MW448.69 g/mol
LogP2.50
Rot. Bonds

About methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;N-methylmethanamine;methylsulfanylmethane;propan-2-one

methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;N-methylmethanamine;methylsulfanylmethane;propan-2-one (PubChem CID 158787534) has the molecular formula C18H44N2O6S2 and a molecular weight of 448.69 g/mol. Its IUPAC name is methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;N-methylmethanamine;methylsulfanylmethane;propan-2-one.

Molecular Properties

Compound Namemethoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;N-methylmethanamine;methylsulfanylmethane;propan-2-one
PubChem CID158787534
Molecular FormulaC18H44N2O6S2
Molecular Weight448.69 g/mol
Exact Mass448.26
IUPAC Namemethoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;N-methylmethanamine;methylsulfanylmethane;propan-2-one
SMILESCC(C)=O.CNC.CNC(C)=O.COC.COC(C)=O.CSC.CSC(C)=O
InChIInChI=1S/C3H7NO.C3H6O2.C3H6OS.C3H6O.C2H7N.C2H6O.C2H6S/c1-3(5)4-2;2*1-3(4)5-2;1-3(2)4;3*1-3-2/h1-2H3,(H,4,5);2*1-2H3;1-2H3;3H,1-2H3;2*1-2H3
InChIKeyIRWIMXGQFVKWKU-UHFFFAOYSA-N
XLogP2.50
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.69
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

bis(N-methylacetamide);methyl acetate;tris(propan-2-one)
CID 54556459
ethane;bis(N-methylacetamide);methyl acetate;bis(S-methyl ethanethioate);methyl hydrogen carbonate
CID 157280191
acetamide;azane;methane;methoxymethane;N-methylacetamide;methyl acetate;methylsulfanylmethane
CID 157371649
methane;N-methylacetamide;methyl acetate;S-methyl ethanethioate
CID 158093558
N-methylacetamide;methyl acetate;S-methyl ethanethioate
CID 158109628
methoxymethane;bis(N-methylacetamide);methyl acetate;N-methylmethanamine;propan-2-one
CID 158273680
methane;N-methylacetamide;methyl acetate;methyl ethanedithioate;N-methylethanethioamide;S-methyl ethanethioate;O-methyl ethanethioate;propan-2-one
CID 158350429
CID 158507081
CID 158507081
dimethyl carbonate;methane;methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methyl N-methylcarbamate;methylsulfanylmethane
CID 158996461
dimethyl carbonate;bis(N-methylacetamide);methyl acetate;bis(S-methyl ethanethioate);molecular hydrogen
CID 159112701
methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;methylsulfanylmethane
CID 159152023
methane;methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;N-methylmethanamine;methylsulfanylmethane;propane-2-thione;propan-2-one
CID 159268867

Frequently Asked Questions

What is the IUPAC name of methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;N-methylmethanamine;methylsulfanylmethane;propan-2-one?
The IUPAC name of methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;N-methylmethanamine;methylsulfanylmethane;propan-2-one (CID 158787534) is methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;N-methylmethanamine;methylsulfanylmethane;propan-2-one.
What is the SMILES notation for methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;N-methylmethanamine;methylsulfanylmethane;propan-2-one?
The canonical SMILES for methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;N-methylmethanamine;methylsulfanylmethane;propan-2-one is CC(C)=O.CNC.CNC(C)=O.COC.COC(C)=O.CSC.CSC(C)=O.
What is the InChIKey of methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;N-methylmethanamine;methylsulfanylmethane;propan-2-one?
The InChIKey is IRWIMXGQFVKWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.C3H6O2.C3H6OS.C3H6O.C2H7N.C2H6O.C2H6S/c1-3(5)4-2;2*1-3(4)5-2;1-3(2)4;3*1-3-2/h1-2H3,(H,4,5);2*1-2H3;1-2H3;3H,1-2H3;2*1-2H3.
What are the key properties of methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;N-methylmethanamine;methylsulfanylmethane;propan-2-one?
methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;N-methylmethanamine;methylsulfanylmethane;propan-2-one has a molecular weight of 448.69 g/mol, XLogP of 2.50, 0 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;N-methylmethanamine;methylsulfanylmethane;propan-2-one is sourced from PubChem (CID 158787534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).