bis(N,N-dimethylacetamide);bis(N,N-dimethylethanethioamide);N,N-dimethylmethanamine;methane;methoxymethane;methyl acetate;methyl methanesulfinate;methylsulfanylmethane;methylsulfanyloxymethane;propan-2-one

C37H91N5O11S5 — CID 158439187

IUPACbis(N,N-dimethylacetamide);bis(N,N-dimethylethanethioamide);N,N-dimethylmethanamine;methane;methoxymethane;methyl acetate;methyl methanesulfinate;methylsulfanylmethane;methylsulfanyloxymethane;propan-2-one
SMILESC.CC(=O)N(C)C.CC(=O)N(C)C.CC(=S)N(C)C.CC(=S)N(C)C.CC(C)=O.CN(C)C.COC.COC(C)=O.COC(C)=O.COS(C)=O.COSC.CSC
InChIInChI=1S/2C4H9NO.2C4H9NS.C3H9N.2C3H6O2.C3H6O.C2H6O2S.C2H6OS.C2H6O.C2H6S.CH4/c4*1-4(6)5(2)3;1-4(2)3;2*1-3(4)5-2;1-3(2)4;1-4-5(2)3;1-3-4-2;2*1-3-2;/h4*1-3H3;1-3H3;2*1-2H3;1-2H3;1-2H3;1-2H3;2*1-2H3;1H4
InChIKeyHCPJVWJENQXQLO-UHFFFAOYSA-N
MW942.49 g/mol
LogP5.83
Rot. Bonds2

About bis(N,N-dimethylacetamide);bis(N,N-dimethylethanethioamide);N,N-dimethylmethanamine;methane;methoxymethane;methyl acetate;methyl methanesulfinate;methylsulfanylmethane;methylsulfanyloxymethane;propan-2-one

bis(N,N-dimethylacetamide);bis(N,N-dimethylethanethioamide);N,N-dimethylmethanamine;methane;methoxymethane;methyl acetate;methyl methanesulfinate;methylsulfanylmethane;methylsulfanyloxymethane;propan-2-one (PubChem CID 158439187) has the molecular formula C37H91N5O11S5 and a molecular weight of 942.49 g/mol. Its IUPAC name is bis(N,N-dimethylacetamide);bis(N,N-dimethylethanethioamide);N,N-dimethylmethanamine;methane;methoxymethane;methyl acetate;methyl methanesulfinate;methylsulfanylmethane;methylsulfanyloxymethane;propan-2-one.

Molecular Properties

Compound Namebis(N,N-dimethylacetamide);bis(N,N-dimethylethanethioamide);N,N-dimethylmethanamine;methane;methoxymethane;methyl acetate;methyl methanesulfinate;methylsulfanylmethane;methylsulfanyloxymethane;propan-2-one
PubChem CID158439187
Molecular FormulaC37H91N5O11S5
Molecular Weight942.49 g/mol
Exact Mass941.53
IUPAC Namebis(N,N-dimethylacetamide);bis(N,N-dimethylethanethioamide);N,N-dimethylmethanamine;methane;methoxymethane;methyl acetate;methyl methanesulfinate;methylsulfanylmethane;methylsulfanyloxymethane;propan-2-one
SMILESC.CC(=O)N(C)C.CC(=O)N(C)C.CC(=S)N(C)C.CC(=S)N(C)C.CC(C)=O.CN(C)C.COC.COC(C)=O.COC(C)=O.COS(C)=O.COSC.CSC
InChIInChI=1S/2C4H9NO.2C4H9NS.C3H9N.2C3H6O2.C3H6O.C2H6O2S.C2H6OS.C2H6O.C2H6S.CH4/c4*1-4(6)5(2)3;1-4(2)3;2*1-3(4)5-2;1-3(2)4;1-4-5(2)3;1-3-4-2;2*1-3-2;/h4*1-3H3;1-3H3;2*1-2H3;1-2H3;1-2H3;1-2H3;2*1-2H3;1H4
InChIKeyHCPJVWJENQXQLO-UHFFFAOYSA-N
XLogP5.83
TPSA164.77 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds2
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500942.49
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze bis(N,N-dimethylacetamide);bis(N,N-dimethylethanethioamide);N,N-dimethylmethanamine;methane;methoxymethane;methyl acetate;methyl methanesulfinate;methylsulfanylmethane;methylsulfanyloxymethane;propan-2-one with MolForge

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Related Compounds

bis(N,N-dimethylacetamide);N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);ethene;methane;methyl acetate;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propan-2-one
CID 158249175
bis(N,N-dimethylacetamide);methyl acetate;propan-2-one
CID 161062659
N,N-dimethylacetamide;N,N-dimethylmethanamine;ethane;methane;N-methylacetamide;methyl acetate;propane;bis(propan-2-one)
CID 159346586
butane-2,3-dione;N,N-dimethylacetamide;N,N-dimethylethanethioamide;N,N-dimethylmethanesulfinamide;N,N-dimethylmethanesulfonamide;N-methylacetamide;methyl acetate;methyl ethanedithioate;N-methylethanethioamide;S-methyl ethanethioate;O-methyl ethanethioate;N-methylmethanesulfinamide;methyl methanesulfinate;N-methylmethanesulfonamide;methyl methanesulfonate;methyl 2-oxopropanoate;propane-2-thione;propan-2-one
CID 161032679
N,N-dimethylmethanamine;[dimethylsulfinamoyloxy(methyl)amino]methane;[methoxysulfinyl(methyl)amino]methane;methylsulfanylmethane;methylsulfinylmethane;propan-2-one
CID 91009599
N,N-dimethylacetamide;methylsulfinylmethane;hydrate
CID 19812504
methane;methyl acetate
CID 162094565
methane;methyl acetate
CID 158871569
carbamothioic S-acid;N,N-dimethylacetamide;O-methyl carbamothioate
CID 88607211
deuteride;methyl acetate;hydrate
CID 160772266
methyl acetate;ruthenium
CID 160799101
butan-2-one;methane;methoxymethane;methyl acetate;N-methylmethanamine;methylsulfanylmethane;propane
CID 162228848

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylacetamide);bis(N,N-dimethylethanethioamide);N,N-dimethylmethanamine;methane;methoxymethane;methyl acetate;methyl methanesulfinate;methylsulfanylmethane;methylsulfanyloxymethane;propan-2-one?
The IUPAC name of bis(N,N-dimethylacetamide);bis(N,N-dimethylethanethioamide);N,N-dimethylmethanamine;methane;methoxymethane;methyl acetate;methyl methanesulfinate;methylsulfanylmethane;methylsulfanyloxymethane;propan-2-one (CID 158439187) is bis(N,N-dimethylacetamide);bis(N,N-dimethylethanethioamide);N,N-dimethylmethanamine;methane;methoxymethane;methyl acetate;methyl methanesulfinate;methylsulfanylmethane;methylsulfanyloxymethane;propan-2-one.
What is the SMILES notation for bis(N,N-dimethylacetamide);bis(N,N-dimethylethanethioamide);N,N-dimethylmethanamine;methane;methoxymethane;methyl acetate;methyl methanesulfinate;methylsulfanylmethane;methylsulfanyloxymethane;propan-2-one?
The canonical SMILES for bis(N,N-dimethylacetamide);bis(N,N-dimethylethanethioamide);N,N-dimethylmethanamine;methane;methoxymethane;methyl acetate;methyl methanesulfinate;methylsulfanylmethane;methylsulfanyloxymethane;propan-2-one is C.CC(=O)N(C)C.CC(=O)N(C)C.CC(=S)N(C)C.CC(=S)N(C)C.CC(C)=O.CN(C)C.COC.COC(C)=O.COC(C)=O.COS(C)=O.COSC.CSC.
What is the InChIKey of bis(N,N-dimethylacetamide);bis(N,N-dimethylethanethioamide);N,N-dimethylmethanamine;methane;methoxymethane;methyl acetate;methyl methanesulfinate;methylsulfanylmethane;methylsulfanyloxymethane;propan-2-one?
The InChIKey is HCPJVWJENQXQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9NO.2C4H9NS.C3H9N.2C3H6O2.C3H6O.C2H6O2S.C2H6OS.C2H6O.C2H6S.CH4/c4*1-4(6)5(2)3;1-4(2)3;2*1-3(4)5-2;1-3(2)4;1-4-5(2)3;1-3-4-2;2*1-3-2;/h4*1-3H3;1-3H3;2*1-2H3;1-2H3;1-2H3;1-2H3;2*1-2H3;1H4.
What are the key properties of bis(N,N-dimethylacetamide);bis(N,N-dimethylethanethioamide);N,N-dimethylmethanamine;methane;methoxymethane;methyl acetate;methyl methanesulfinate;methylsulfanylmethane;methylsulfanyloxymethane;propan-2-one?
bis(N,N-dimethylacetamide);bis(N,N-dimethylethanethioamide);N,N-dimethylmethanamine;methane;methoxymethane;methyl acetate;methyl methanesulfinate;methylsulfanylmethane;methylsulfanyloxymethane;propan-2-one has a molecular weight of 942.49 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethylacetamide);bis(N,N-dimethylethanethioamide);N,N-dimethylmethanamine;methane;methoxymethane;methyl acetate;methyl methanesulfinate;methylsulfanylmethane;methylsulfanyloxymethane;propan-2-one is sourced from PubChem (CID 158439187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).