deuterium monohydride;N,N-dimethylethanamine;ethanamine;N-ethylacetamide;ethyl acetate;N-ethylmethanesulfonamide;1-ethylsulfonylethane;methane;methoxyethane;N-methylethanamine;methyl propanoate;methylsulfanylethane;pentan-3-one

C40H103N5O11S3 — CID 159352611

IUPACdeuterium monohydride;N,N-dimethylethanamine;ethanamine;N-ethylacetamide;ethyl acetate;N-ethylmethanesulfonamide;1-ethylsulfonylethane;methane;methoxyethane;N-methylethanamine;methyl propanoate;methylsulfanylethane;pentan-3-one
SMILESC.CCC(=O)CC.CCC(=O)OC.CCN.CCN(C)C.CCNC.CCNC(C)=O.CCNS(C)(=O)=O.CCOC.CCOC(C)=O.CCS(=O)(=O)CC.CCSC.[H][2H]
InChIInChI=1S/C5H10O.C4H9NO.C4H11N.C4H10O2S.2C4H8O2.C3H9NO2S.C3H9N.C3H8O.C3H8S.C2H7N.CH4.H2/c1-3-5(6)4-2;1-3-5-4(2)6;1-4-5(2)3;1-3-7(5,6)4-2;1-3-4(5)6-2;1-3-6-4(2)5;1-3-4-7(2,5)6;3*1-3-4-2;1-2-3;;/h3-4H2,1-2H3;3H2,1-2H3,(H,5,6);4H2,1-3H3;3-4H2,1-2H3;2*3H2,1-2H3;4H,3H2,1-2H3;4H,3H2,1-2H3;2*3H2,1-2H3;2-3H2,1H3;1H4;1H/i;;;;;;;;;;;;1+1
InChIKeyLHNCRUMVEPDGOU-MBDJGAHPSA-N
MW927.50 g/mol
LogP6.32
Rot. Bonds13

About deuterium monohydride;N,N-dimethylethanamine;ethanamine;N-ethylacetamide;ethyl acetate;N-ethylmethanesulfonamide;1-ethylsulfonylethane;methane;methoxyethane;N-methylethanamine;methyl propanoate;methylsulfanylethane;pentan-3-one

deuterium monohydride;N,N-dimethylethanamine;ethanamine;N-ethylacetamide;ethyl acetate;N-ethylmethanesulfonamide;1-ethylsulfonylethane;methane;methoxyethane;N-methylethanamine;methyl propanoate;methylsulfanylethane;pentan-3-one (PubChem CID 159352611) has the molecular formula C40H103N5O11S3 and a molecular weight of 927.50 g/mol. Its IUPAC name is deuterium monohydride;N,N-dimethylethanamine;ethanamine;N-ethylacetamide;ethyl acetate;N-ethylmethanesulfonamide;1-ethylsulfonylethane;methane;methoxyethane;N-methylethanamine;methyl propanoate;methylsulfanylethane;pentan-3-one.

Molecular Properties

Compound Namedeuterium monohydride;N,N-dimethylethanamine;ethanamine;N-ethylacetamide;ethyl acetate;N-ethylmethanesulfonamide;1-ethylsulfonylethane;methane;methoxyethane;N-methylethanamine;methyl propanoate;methylsulfanylethane;pentan-3-one
PubChem CID159352611
Molecular FormulaC40H103N5O11S3
Molecular Weight927.50 g/mol
Exact Mass926.69
IUPAC Namedeuterium monohydride;N,N-dimethylethanamine;ethanamine;N-ethylacetamide;ethyl acetate;N-ethylmethanesulfonamide;1-ethylsulfonylethane;methane;methoxyethane;N-methylethanamine;methyl propanoate;methylsulfanylethane;pentan-3-one
SMILESC.CCC(=O)CC.CCC(=O)OC.CCN.CCN(C)C.CCNC.CCNC(C)=O.CCNS(C)(=O)=O.CCOC.CCOC(C)=O.CCS(=O)(=O)CC.CCSC.[H][2H]
InChIInChI=1S/C5H10O.C4H9NO.C4H11N.C4H10O2S.2C4H8O2.C3H9NO2S.C3H9N.C3H8O.C3H8S.C2H7N.CH4.H2/c1-3-5(6)4-2;1-3-5-4(2)6;1-4-5(2)3;1-3-7(5,6)4-2;1-3-4(5)6-2;1-3-6-4(2)5;1-3-4-7(2,5)6;3*1-3-4-2;1-2-3;;/h3-4H2,1-2H3;3H2,1-2H3,(H,5,6);4H2,1-3H3;3-4H2,1-2H3;2*3H2,1-2H3;4H,3H2,1-2H3;4H,3H2,1-2H3;2*3H2,1-2H3;2-3H2,1H3;1H4;1H/i;;;;;;;;;;;;1+1
InChIKeyLHNCRUMVEPDGOU-MBDJGAHPSA-N
XLogP6.32
TPSA229.60 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500927.50
LogP ≤ 56.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze deuterium monohydride;N,N-dimethylethanamine;ethanamine;N-ethylacetamide;ethyl acetate;N-ethylmethanesulfonamide;1-ethylsulfonylethane;methane;methoxyethane;N-methylethanamine;methyl propanoate;methylsulfanylethane;pentan-3-one with MolForge

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Related Compounds

ethyl acetate;methylsulfanylethane
CID 90948635
N-ethylacetamide;ethylperoxyethane;N-(ethylperoxymethyl)-N-methylmethanesulfonamide;methane
CID 158959549
ethyl acetate;methoxyethane;propane
CID 159041410
N-acetylacetamide;N-acetylpropanamide;1,2-dimethoxyethane;dimethoxymethane;1-ethoxybutane;ethoxyethane;1-ethoxypropane;N-ethylacetamide;ethyl acetate;N-ethylethanamine;N-ethylethanesulfonamide;N-ethylmethanesulfonamide;N-ethylpropanamide;N-ethylpropan-1-amine;ethylsulfanylethane;1-ethylsulfanylpropane;1-ethylsulfonylethane;1-ethylsulfonylpropane;1-methoxybutane;1-methoxypentane;1-methoxypropane;N-methylbutanamide;N-methylbutan-1-amine;N-methylethanesulfonamide;methyl pentanoate;N-methylpropanamide;N-methylpropan-1-amine;N-methylpropane-1-sulfonamide;1-methylsulfanylbutane;1-methylsulfanylpropane;1-methylsulfonylbutane;1-methylsulfonylpropane;N-propylacetamide;N-propylmethanesulfonamide;propyl propanoate
CID 161475704
1,3-dimethylurea;methoxyethane;N-methylacetamide;methyl acetate;N-methylethanamine;N-methylmethanesulfonamide;N-(methylsulfamoyl)methanamine
CID 159986809
dimethoxymethane;methoxy(methylsulfanyl)methane;O-methyl ethanethioate;O-methyl propanethioate;methyl propanoate;methylsulfanylethane;propane-1-thiol
CID 161028588
methyl propanoate;sulfuryl difluoride
CID 146421317
butan-2-one;ethanethioamide;N-ethylacetamide;methane;N-methylacetamide;methyl acetate;methylsulfinylmethane;methylsulfonylmethane;propan-2-one
CID 167596500
methyl methanesulfonate;methyl propanoate
CID 174856082
ethyl propanoate;methanesulfonic acid
CID 159764839
N-(2-aminoethyl)methanesulfonamide;N-propylacetamide
CID 161235509
1,2-dimethoxyethane;ethyl acetate
CID 87198031

Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;N,N-dimethylethanamine;ethanamine;N-ethylacetamide;ethyl acetate;N-ethylmethanesulfonamide;1-ethylsulfonylethane;methane;methoxyethane;N-methylethanamine;methyl propanoate;methylsulfanylethane;pentan-3-one?
The IUPAC name of deuterium monohydride;N,N-dimethylethanamine;ethanamine;N-ethylacetamide;ethyl acetate;N-ethylmethanesulfonamide;1-ethylsulfonylethane;methane;methoxyethane;N-methylethanamine;methyl propanoate;methylsulfanylethane;pentan-3-one (CID 159352611) is deuterium monohydride;N,N-dimethylethanamine;ethanamine;N-ethylacetamide;ethyl acetate;N-ethylmethanesulfonamide;1-ethylsulfonylethane;methane;methoxyethane;N-methylethanamine;methyl propanoate;methylsulfanylethane;pentan-3-one.
What is the SMILES notation for deuterium monohydride;N,N-dimethylethanamine;ethanamine;N-ethylacetamide;ethyl acetate;N-ethylmethanesulfonamide;1-ethylsulfonylethane;methane;methoxyethane;N-methylethanamine;methyl propanoate;methylsulfanylethane;pentan-3-one?
The canonical SMILES for deuterium monohydride;N,N-dimethylethanamine;ethanamine;N-ethylacetamide;ethyl acetate;N-ethylmethanesulfonamide;1-ethylsulfonylethane;methane;methoxyethane;N-methylethanamine;methyl propanoate;methylsulfanylethane;pentan-3-one is C.CCC(=O)CC.CCC(=O)OC.CCN.CCN(C)C.CCNC.CCNC(C)=O.CCNS(C)(=O)=O.CCOC.CCOC(C)=O.CCS(=O)(=O)CC.CCSC.[H][2H].
What is the InChIKey of deuterium monohydride;N,N-dimethylethanamine;ethanamine;N-ethylacetamide;ethyl acetate;N-ethylmethanesulfonamide;1-ethylsulfonylethane;methane;methoxyethane;N-methylethanamine;methyl propanoate;methylsulfanylethane;pentan-3-one?
The InChIKey is LHNCRUMVEPDGOU-MBDJGAHPSA-N. The full InChI is InChI=1S/C5H10O.C4H9NO.C4H11N.C4H10O2S.2C4H8O2.C3H9NO2S.C3H9N.C3H8O.C3H8S.C2H7N.CH4.H2/c1-3-5(6)4-2;1-3-5-4(2)6;1-4-5(2)3;1-3-7(5,6)4-2;1-3-4(5)6-2;1-3-6-4(2)5;1-3-4-7(2,5)6;3*1-3-4-2;1-2-3;;/h3-4H2,1-2H3;3H2,1-2H3,(H,5,6);4H2,1-3H3;3-4H2,1-2H3;2*3H2,1-2H3;4H,3H2,1-2H3;4H,3H2,1-2H3;2*3H2,1-2H3;2-3H2,1H3;1H4;1H/i;;;;;;;;;;;;1+1.
What are the key properties of deuterium monohydride;N,N-dimethylethanamine;ethanamine;N-ethylacetamide;ethyl acetate;N-ethylmethanesulfonamide;1-ethylsulfonylethane;methane;methoxyethane;N-methylethanamine;methyl propanoate;methylsulfanylethane;pentan-3-one?
deuterium monohydride;N,N-dimethylethanamine;ethanamine;N-ethylacetamide;ethyl acetate;N-ethylmethanesulfonamide;1-ethylsulfonylethane;methane;methoxyethane;N-methylethanamine;methyl propanoate;methylsulfanylethane;pentan-3-one has a molecular weight of 927.50 g/mol, XLogP of 6.32, 13 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;N,N-dimethylethanamine;ethanamine;N-ethylacetamide;ethyl acetate;N-ethylmethanesulfonamide;1-ethylsulfonylethane;methane;methoxyethane;N-methylethanamine;methyl propanoate;methylsulfanylethane;pentan-3-one is sourced from PubChem (CID 159352611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).