bis(N,N-dimethylacetamide);N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);ethene;methane;methyl acetate;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propan-2-one

C41H103N5O12S5 — CID 158249175

IUPACbis(N,N-dimethylacetamide);N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);ethene;methane;methyl acetate;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propan-2-one
SMILESC.C.C=C.C=C.C=C.C=C.C=C.CC(=O)N(C)C.CC(=O)N(C)C.CC(C)=O.CN(C)C.CN(C)S(C)(=O)=O.CN(C)S(C)(=O)=O.COC(C)=O.CS(C)(=O)=O.CS(C)=O.CSC
InChIInChI=1S/2C4H9NO.2C3H9NO2S.C3H9N.C3H6O2.C3H6O.C2H6O2S.C2H6OS.C2H6S.5C2H4.2CH4/c2*1-4(6)5(2)3;2*1-4(2)7(3,5)6;1-4(2)3;1-3(4)5-2;1-3(2)4;1-5(2,3)4;1-4(2)3;1-3-2;5*1-2;;/h2*1-3H3;2*1-3H3;1-3H3;1-2H3;1-2H3;1-2H3;1-2H3;1-2H3;5*1-2H2;2*1H4
InChIKeyGGMQIFUVWBOXJJ-UHFFFAOYSA-N
MW1018.63 g/mol
LogP6.07
Rot. Bonds2

About bis(N,N-dimethylacetamide);N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);ethene;methane;methyl acetate;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propan-2-one

bis(N,N-dimethylacetamide);N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);ethene;methane;methyl acetate;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propan-2-one (PubChem CID 158249175) has the molecular formula C41H103N5O12S5 and a molecular weight of 1018.63 g/mol. Its IUPAC name is bis(N,N-dimethylacetamide);N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);ethene;methane;methyl acetate;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propan-2-one.

Molecular Properties

Compound Namebis(N,N-dimethylacetamide);N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);ethene;methane;methyl acetate;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propan-2-one
PubChem CID158249175
Molecular FormulaC41H103N5O12S5
Molecular Weight1018.63 g/mol
Exact Mass1017.62
IUPAC Namebis(N,N-dimethylacetamide);N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);ethene;methane;methyl acetate;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propan-2-one
SMILESC.C.C=C.C=C.C=C.C=C.C=C.CC(=O)N(C)C.CC(=O)N(C)C.CC(C)=O.CN(C)C.CN(C)S(C)(=O)=O.CN(C)S(C)(=O)=O.COC(C)=O.CS(C)(=O)=O.CS(C)=O.CSC
InChIInChI=1S/2C4H9NO.2C3H9NO2S.C3H9N.C3H6O2.C3H6O.C2H6O2S.C2H6OS.C2H6S.5C2H4.2CH4/c2*1-4(6)5(2)3;2*1-4(2)7(3,5)6;1-4(2)3;1-3(4)5-2;1-3(2)4;1-5(2,3)4;1-4(2)3;1-3-2;5*1-2;;/h2*1-3H3;2*1-3H3;1-3H3;1-2H3;1-2H3;1-2H3;1-2H3;1-2H3;5*1-2H2;2*1H4
InChIKeyGGMQIFUVWBOXJJ-UHFFFAOYSA-N
XLogP6.07
TPSA213.20 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds2
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001018.63
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze bis(N,N-dimethylacetamide);N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);ethene;methane;methyl acetate;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propan-2-one with MolForge

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Related Compounds

bis(N,N-dimethylacetamide);bis(N,N-dimethylethanethioamide);N,N-dimethylmethanamine;methane;methoxymethane;methyl acetate;methyl methanesulfinate;methylsulfanylmethane;methylsulfanyloxymethane;propan-2-one
CID 158439187
bis(N,N-dimethylacetamide);methyl acetate;propan-2-one
CID 161062659
acetamide;acetic acid;N,N-dimethylacetamide;N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);methane;methanesulfonamide;N-methylacetamide;methyl acetate;N-methylmethanamine;tris(N-methylmethanesulfonamide);methylsulfonylmethane
CID 158597077
N,N-dimethylacetamide;methylsulfinylmethane;hydrate
CID 19812504
N,N-dimethylacetamide;N,N-dimethylmethanamine;ethane;methane;N-methylacetamide;methyl acetate;propane;bis(propan-2-one)
CID 159346586
methanesulfonic acid;methyl acetate
CID 172690689
dimethoxy(dimethyl)silane;N,N-dimethylmethanamine;2,2-dimethylpropane;methoxymethane;N-methylacetamide;methyl acetate;N-methylmethanamine;methyl methanesulfonate;methyl N-methylcarbamate;2-methylpropane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propane;propan-2-one;tetramethylsilane
CID 159126287
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
benzene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propan-2-one
CID 160852246
methane;methyl acetate
CID 158871569
methane;methylsulfonylmethane;propan-2-one
CID 169426360

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylacetamide);N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);ethene;methane;methyl acetate;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propan-2-one?
The IUPAC name of bis(N,N-dimethylacetamide);N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);ethene;methane;methyl acetate;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propan-2-one (CID 158249175) is bis(N,N-dimethylacetamide);N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);ethene;methane;methyl acetate;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propan-2-one.
What is the SMILES notation for bis(N,N-dimethylacetamide);N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);ethene;methane;methyl acetate;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propan-2-one?
The canonical SMILES for bis(N,N-dimethylacetamide);N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);ethene;methane;methyl acetate;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propan-2-one is C.C.C=C.C=C.C=C.C=C.C=C.CC(=O)N(C)C.CC(=O)N(C)C.CC(C)=O.CN(C)C.CN(C)S(C)(=O)=O.CN(C)S(C)(=O)=O.COC(C)=O.CS(C)(=O)=O.CS(C)=O.CSC.
What is the InChIKey of bis(N,N-dimethylacetamide);N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);ethene;methane;methyl acetate;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propan-2-one?
The InChIKey is GGMQIFUVWBOXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9NO.2C3H9NO2S.C3H9N.C3H6O2.C3H6O.C2H6O2S.C2H6OS.C2H6S.5C2H4.2CH4/c2*1-4(6)5(2)3;2*1-4(2)7(3,5)6;1-4(2)3;1-3(4)5-2;1-3(2)4;1-5(2,3)4;1-4(2)3;1-3-2;5*1-2;;/h2*1-3H3;2*1-3H3;1-3H3;1-2H3;1-2H3;1-2H3;1-2H3;1-2H3;5*1-2H2;2*1H4.
What are the key properties of bis(N,N-dimethylacetamide);N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);ethene;methane;methyl acetate;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propan-2-one?
bis(N,N-dimethylacetamide);N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);ethene;methane;methyl acetate;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propan-2-one has a molecular weight of 1018.63 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethylacetamide);N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);ethene;methane;methyl acetate;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propan-2-one is sourced from PubChem (CID 158249175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).