1,3-dimethylurea;methoxyethane;N-methylacetamide;methyl acetate;N-methylethanamine;N-methylmethanesulfonamide;N-(methylsulfamoyl)methanamine

C19H53N7O9S2 — CID 159986809

IUPAC1,3-dimethylurea;methoxyethane;N-methylacetamide;methyl acetate;N-methylethanamine;N-methylmethanesulfonamide;N-(methylsulfamoyl)methanamine
SMILESCCNC.CCOC.CNC(=O)NC.CNC(C)=O.CNS(=O)(=O)NC.CNS(C)(=O)=O.COC(C)=O
InChIInChI=1S/C3H8N2O.C3H7NO.C3H9N.C3H6O2.C3H8O.C2H8N2O2S.C2H7NO2S/c1-4-3(6)5-2;1-3(5)4-2;1-3-4-2;1-3(4)5-2;1-3-4-2;1-3-7(5,6)4-2;1-3-6(2,4)5/h1-2H3,(H2,4,5,6);1-2H3,(H,4,5);4H,3H2,1-2H3;1-2H3;3H2,1-2H3;3-4H,1-2H3;3H,1-2H3
InChIKeyOGLCJLWLORLYRW-UHFFFAOYSA-N
MW587.81 g/mol
LogP-1.81
Rot. Bonds5

About 1,3-dimethylurea;methoxyethane;N-methylacetamide;methyl acetate;N-methylethanamine;N-methylmethanesulfonamide;N-(methylsulfamoyl)methanamine

1,3-dimethylurea;methoxyethane;N-methylacetamide;methyl acetate;N-methylethanamine;N-methylmethanesulfonamide;N-(methylsulfamoyl)methanamine (PubChem CID 159986809) has the molecular formula C19H53N7O9S2 and a molecular weight of 587.81 g/mol. Its IUPAC name is 1,3-dimethylurea;methoxyethane;N-methylacetamide;methyl acetate;N-methylethanamine;N-methylmethanesulfonamide;N-(methylsulfamoyl)methanamine.

Molecular Properties

Compound Name1,3-dimethylurea;methoxyethane;N-methylacetamide;methyl acetate;N-methylethanamine;N-methylmethanesulfonamide;N-(methylsulfamoyl)methanamine
PubChem CID159986809
Molecular FormulaC19H53N7O9S2
Molecular Weight587.81 g/mol
Exact Mass587.33
IUPAC Name1,3-dimethylurea;methoxyethane;N-methylacetamide;methyl acetate;N-methylethanamine;N-methylmethanesulfonamide;N-(methylsulfamoyl)methanamine
SMILESCCNC.CCOC.CNC(=O)NC.CNC(C)=O.CNS(=O)(=O)NC.CNS(C)(=O)=O.COC(C)=O
InChIInChI=1S/C3H8N2O.C3H7NO.C3H9N.C3H6O2.C3H8O.C2H8N2O2S.C2H7NO2S/c1-4-3(6)5-2;1-3(5)4-2;1-3-4-2;1-3(4)5-2;1-3-4-2;1-3-7(5,6)4-2;1-3-6(2,4)5/h1-2H3,(H2,4,5,6);1-2H3,(H,4,5);4H,3H2,1-2H3;1-2H3;3H2,1-2H3;3-4H,1-2H3;3H,1-2H3
InChIKeyOGLCJLWLORLYRW-UHFFFAOYSA-N
XLogP-1.81
TPSA222.16 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.81
LogP ≤ 5-1.81
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

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Related Compounds

butane;dimethylphosphinic acid;methane;methoxyethane;methoxymethane;N-methylacetamide;N-methylethanamine;propan-2-one
CID 161294078
methanesulfonic acid;methyl acetate
CID 172690689
pentakis(N-methylacetamide);N-methylethanesulfonamide;bis(N-methylmethanesulfonamide);bis(N-methylpropanamide)
CID 162162754
methoxyethane;methoxymethane;N-methylethanamine;N-methylmethanamine
CID 158207087
ethane;methane;methanesulfonic acid;methoxyethane;propane
CID 160590924
ethane;N-ethylacetamide;methane;methoxymethane;bis(N-methylacetamide);methyl acetate;N-methylformamide;tris(propan-2-one)
CID 160804840
(Z)-but-2-ene;methoxyethane;methoxymethane;N-methylacetamide;N-methylmethanamine;methylsulfanylethane;methylsulfanylmethane;propan-2-one
CID 162280663
benzene;1,3-dimethylurea;ethane;methyl acetate;molecular iodine
CID 160982785
dimethyl carbonate;1,3-dimethylurea;methoxymethane;N-methylacetamide;methyl acetate;(methyldisulfanyl)methane;methylsulfanylmethane;tetramethylsilane
CID 161307411
butane;ethyl acetate;ethyl N-methylcarbamate;methoxyethane;methoxymethane;1-methoxypropane;N-methylacetamide;methyl acetate;propan-2-one
CID 161489989
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
butan-2-one;ethanethioamide;N-ethylacetamide;methane;N-methylacetamide;methyl acetate;methylsulfinylmethane;methylsulfonylmethane;propan-2-one
CID 167596500

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylurea;methoxyethane;N-methylacetamide;methyl acetate;N-methylethanamine;N-methylmethanesulfonamide;N-(methylsulfamoyl)methanamine?
The IUPAC name of 1,3-dimethylurea;methoxyethane;N-methylacetamide;methyl acetate;N-methylethanamine;N-methylmethanesulfonamide;N-(methylsulfamoyl)methanamine (CID 159986809) is 1,3-dimethylurea;methoxyethane;N-methylacetamide;methyl acetate;N-methylethanamine;N-methylmethanesulfonamide;N-(methylsulfamoyl)methanamine.
What is the SMILES notation for 1,3-dimethylurea;methoxyethane;N-methylacetamide;methyl acetate;N-methylethanamine;N-methylmethanesulfonamide;N-(methylsulfamoyl)methanamine?
The canonical SMILES for 1,3-dimethylurea;methoxyethane;N-methylacetamide;methyl acetate;N-methylethanamine;N-methylmethanesulfonamide;N-(methylsulfamoyl)methanamine is CCNC.CCOC.CNC(=O)NC.CNC(C)=O.CNS(=O)(=O)NC.CNS(C)(=O)=O.COC(C)=O.
What is the InChIKey of 1,3-dimethylurea;methoxyethane;N-methylacetamide;methyl acetate;N-methylethanamine;N-methylmethanesulfonamide;N-(methylsulfamoyl)methanamine?
The InChIKey is OGLCJLWLORLYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O.C3H7NO.C3H9N.C3H6O2.C3H8O.C2H8N2O2S.C2H7NO2S/c1-4-3(6)5-2;1-3(5)4-2;1-3-4-2;1-3(4)5-2;1-3-4-2;1-3-7(5,6)4-2;1-3-6(2,4)5/h1-2H3,(H2,4,5,6);1-2H3,(H,4,5);4H,3H2,1-2H3;1-2H3;3H2,1-2H3;3-4H,1-2H3;3H,1-2H3.
What are the key properties of 1,3-dimethylurea;methoxyethane;N-methylacetamide;methyl acetate;N-methylethanamine;N-methylmethanesulfonamide;N-(methylsulfamoyl)methanamine?
1,3-dimethylurea;methoxyethane;N-methylacetamide;methyl acetate;N-methylethanamine;N-methylmethanesulfonamide;N-(methylsulfamoyl)methanamine has a molecular weight of 587.81 g/mol, XLogP of -1.81, 5 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylurea;methoxyethane;N-methylacetamide;methyl acetate;N-methylethanamine;N-methylmethanesulfonamide;N-(methylsulfamoyl)methanamine is sourced from PubChem (CID 159986809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).