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

C40H121N11O21S7 — CID 158597077

IUPACacetamide;acetic acid;N,N-dimethylacetamide;N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);methane;methanesulfonamide;N-methylacetamide;methyl acetate;N-methylmethanamine;tris(N-methylmethanesulfonamide);methylsulfonylmethane
SMILESC.C.C.C.C.C.CC(=O)N(C)C.CC(=O)O.CC(N)=O.CN(C)C.CN(C)S(C)(=O)=O.CN(C)S(C)(=O)=O.CNC.CNC(C)=O.CNS(C)(=O)=O.CNS(C)(=O)=O.CNS(C)(=O)=O.COC(C)=O.CS(C)(=O)=O.CS(N)(=O)=O
InChIInChI=1S/C4H9NO.2C3H9NO2S.C3H7NO.C3H9N.C3H6O2.3C2H7NO2S.C2H5NO.C2H7N.C2H6O2S.C2H4O2.CH5NO2S.6CH4/c1-4(6)5(2)3;2*1-4(2)7(3,5)6;1-3(5)4-2;1-4(2)3;1-3(4)5-2;3*1-3-6(2,4)5;1-2(3)4;1-3-2;1-5(2,3)4;1-2(3)4;1-5(2,3)4;;;;;;/h1-3H3;2*1-3H3;1-2H3,(H,4,5);1-3H3;1-2H3;3*3H,1-2H3;1H3,(H2,3,4);3H,1-2H3;1-2H3;1H3,(H,3,4);1H3,(H2,2,3,4);6*1H4
InChIKeyXYAIHZUZUJJYNO-UHFFFAOYSA-N
MW1316.93 g/mol
LogP-1.48
Rot. Bonds5

About 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

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 (PubChem CID 158597077) has the molecular formula C40H121N11O21S7 and a molecular weight of 1316.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameacetamide;acetic acid;N,N-dimethylacetamide;N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);methane;methanesulfonamide;N-methylacetamide;methyl acetate;N-methylmethanamine;tris(N-methylmethanesulfonamide);methylsulfonylmethane
PubChem CID158597077
Molecular FormulaC40H121N11O21S7
Molecular Weight1316.93 g/mol
Exact Mass1315.68
IUPAC Nameacetamide;acetic acid;N,N-dimethylacetamide;N,N-dimethylmethanamine;bis(N,N-dimethylmethanesulfonamide);methane;methanesulfonamide;N-methylacetamide;methyl acetate;N-methylmethanamine;tris(N-methylmethanesulfonamide);methylsulfonylmethane
SMILESC.C.C.C.C.C.CC(=O)N(C)C.CC(=O)O.CC(N)=O.CN(C)C.CN(C)S(C)(=O)=O.CN(C)S(C)(=O)=O.CNC.CNC(C)=O.CNS(C)(=O)=O.CNS(C)(=O)=O.CNS(C)(=O)=O.COC(C)=O.CS(C)(=O)=O.CS(N)(=O)=O
InChIInChI=1S/C4H9NO.2C3H9NO2S.C3H7NO.C3H9N.C3H6O2.3C2H7NO2S.C2H5NO.C2H7N.C2H6O2S.C2H4O2.CH5NO2S.6CH4/c1-4(6)5(2)3;2*1-4(2)7(3,5)6;1-3(5)4-2;1-4(2)3;1-3(4)5-2;3*1-3-6(2,4)5;1-2(3)4;1-3-2;1-5(2,3)4;1-2(3)4;1-5(2,3)4;;;;;;/h1-3H3;2*1-3H3;1-2H3,(H,4,5);1-3H3;1-2H3;3*3H,1-2H3;1H3,(H2,3,4);3H,1-2H3;1-2H3;1H3,(H,3,4);1H3,(H2,2,3,4);6*1H4
InChIKeyXYAIHZUZUJJYNO-UHFFFAOYSA-N
XLogP-1.48
TPSA478.94 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds5
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001316.93
LogP ≤ 5-1.48
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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Related Compounds

N,N-dimethylacetamide;N,N-dimethylmethanamine;ethane;methane;N-methylacetamide;methyl acetate;propane;bis(propan-2-one)
CID 159346586
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
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
1-methoxy-N-methylethenamine;N-methylacetamide;N-methylmethanesulfonamide;methyl N-methylsulfamate;1-N,1-N',1-N'-trimethylethene-1,1-diamine
CID 157177143
methanesulfonic acid;methyl acetate
CID 172690689
methane;N-methylacetamide;N-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)methanesulfonamide
CID 164997769
1,3-dimethylurea;methoxyethane;N-methylacetamide;methyl acetate;N-methylethanamine;N-methylmethanesulfonamide;N-(methylsulfamoyl)methanamine
CID 159986809
butan-2-one;ethanethioamide;N-ethylacetamide;methane;N-methylacetamide;methyl acetate;methylsulfinylmethane;methylsulfonylmethane;propan-2-one
CID 167596500
methane;N-methylacetamide
CID 169425645
acetamide;bis(N-methylmethanamine)
CID 172694142
methane;methyl acetate
CID 158871569

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.C.C.CC(=O)N(C)C.CC(=O)O.CC(N)=O.CN(C)C.CN(C)S(C)(=O)=O.CN(C)S(C)(=O)=O.CNC.CNC(C)=O.CNS(C)(=O)=O.CNS(C)(=O)=O.CNS(C)(=O)=O.COC(C)=O.CS(C)(=O)=O.CS(N)(=O)=O.
What is the InChIKey of 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?
The InChIKey is XYAIHZUZUJJYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.2C3H9NO2S.C3H7NO.C3H9N.C3H6O2.3C2H7NO2S.C2H5NO.C2H7N.C2H6O2S.C2H4O2.CH5NO2S.6CH4/c1-4(6)5(2)3;2*1-4(2)7(3,5)6;1-3(5)4-2;1-4(2)3;1-3(4)5-2;3*1-3-6(2,4)5;1-2(3)4;1-3-2;1-5(2,3)4;1-2(3)4;1-5(2,3)4;;;;;;/h1-3H3;2*1-3H3;1-2H3,(H,4,5);1-3H3;1-2H3;3*3H,1-2H3;1H3,(H2,3,4);3H,1-2H3;1-2H3;1H3,(H,3,4);1H3,(H2,2,3,4);6*1H4.
What are the key properties of 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?
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 has a molecular weight of 1316.93 g/mol, XLogP of -1.48, 5 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158597077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).