bis(methylsulfanyl)methane;diethyl(dimethyl)azanium;dimethoxymethane;dimethyl carbonate;N,4-dimethyl-1,3-oxazol-2-amine;N,5-dimethyl-1,3-oxazol-2-amine;N,4-dimethylpyridin-2-amine;N,4-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;1,3-dimethylurea;ethoxyethane;N-ethoxymethanamine;N-ethylethanamine;N-ethylethanimine;ethylsulfanylethane;bis(1-ethylsulfinylethane);bis(1-ethylsulfonylethane);1-methoxy-N-methylmethanamine;2-methoxy-4-methylpyridine;1-methoxypropane;methoxysulfanylethane;(methyldisulfanyl)ethane;bis(methyl N-methylcarbamate);N-methylpropanamide;methyl propanoate;N-(methylsulfamoyl)methanamine;(methylsulfanylsulfinylamino)methane;(methylsulfanylsulfonylamino)methane;pentane;(E)-pent-2-ene;pent-2-yne;N-propylacetamide

C140H315N26O33S17+ — CID 158393433

About bis(methylsulfanyl)methane;diethyl(dimethyl)azanium;dimethoxymethane;dimethyl carbonate;N,4-dimethyl-1,3-oxazol-2-amine;N,5-dimethyl-1,3-oxazol-2-amine;N,4-dimethylpyridin-2-amine;N,4-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;1,3-dimethylurea;ethoxyethane;N-ethoxymethanamine;N-ethylethanamine;N-ethylethanimine;ethylsulfanylethane;bis(1-ethylsulfinylethane);bis(1-ethylsulfonylethane);1-methoxy-N-methylmethanamine;2-methoxy-4-methylpyridine;1-methoxypropane;methoxysulfanylethane;(methyldisulfanyl)ethane;bis(methyl N-methylcarbamate);N-methylpropanamide;methyl propanoate;N-(methylsulfamoyl)methanamine;(methylsulfanylsulfinylamino)methane;(methylsulfanylsulfonylamino)methane;pentane;(E)-pent-2-ene;pent-2-yne;N-propylacetamide

bis(methylsulfanyl)methane;diethyl(dimethyl)azanium;dimethoxymethane;dimethyl carbonate;N,4-dimethyl-1,3-oxazol-2-amine;N,5-dimethyl-1,3-oxazol-2-amine;N,4-dimethylpyridin-2-amine;N,4-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;1,3-dimethylurea;ethoxyethane;N-ethoxymethanamine;N-ethylethanamine;N-ethylethanimine;ethylsulfanylethane;bis(1-ethylsulfinylethane);bis(1-ethylsulfonylethane);1-methoxy-N-methylmethanamine;2-methoxy-4-methylpyridine;1-methoxypropane;methoxysulfanylethane;(methyldisulfanyl)ethane;bis(methyl N-methylcarbamate);N-methylpropanamide;methyl propanoate;N-(methylsulfamoyl)methanamine;(methylsulfanylsulfinylamino)methane;(methylsulfanylsulfonylamino)methane;pentane;(E)-pent-2-ene;pent-2-yne;N-propylacetamide (PubChem CID 158393433) has the molecular formula C140H315N26O33S17+ and a molecular weight of 3436.35 g/mol. Its IUPAC name is bis(methylsulfanyl)methane;diethyl(dimethyl)azanium;dimethoxymethane;dimethyl carbonate;N,4-dimethyl-1,3-oxazol-2-amine;N,5-dimethyl-1,3-oxazol-2-amine;N,4-dimethylpyridin-2-amine;N,4-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;1,3-dimethylurea;ethoxyethane;N-ethoxymethanamine;N-ethylethanamine;N-ethylethanimine;ethylsulfanylethane;bis(1-ethylsulfinylethane);bis(1-ethylsulfonylethane);1-methoxy-N-methylmethanamine;2-methoxy-4-methylpyridine;1-methoxypropane;methoxysulfanylethane;(methyldisulfanyl)ethane;bis(methyl N-methylcarbamate);N-methylpropanamide;methyl propanoate;N-(methylsulfamoyl)methanamine;(methylsulfanylsulfinylamino)methane;(methylsulfanylsulfonylamino)methane;pentane;(E)-pent-2-ene;pent-2-yne;N-propylacetamide.

Molecular Properties

• Compound Name: bis(methylsulfanyl)methane;diethyl(dimethyl)azanium;dimethoxymethane;dimethyl carbonate;N,4-dimethyl-1,3-oxazol-2-amine;N,5-dimethyl-1,3-oxazol-2-amine;N,4-dimethylpyridin-2-amine;N,4-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;1,3-dimethylurea;ethoxyethane;N-ethoxymethanamine;N-ethylethanamine;N-ethylethanimine;ethylsulfanylethane;bis(1-ethylsulfinylethane);bis(1-ethylsulfonylethane);1-methoxy-N-methylmethanamine;2-methoxy-4-methylpyridine;1-methoxypropane;methoxysulfanylethane;(methyldisulfanyl)ethane;bis(methyl N-methylcarbamate);N-methylpropanamide;methyl propanoate;N-(methylsulfamoyl)methanamine;(methylsulfanylsulfinylamino)methane;(methylsulfanylsulfonylamino)methane;pentane;(E)-pent-2-ene;pent-2-yne;N-propylacetamide
• PubChem CID: 158393433
• Molecular Formula: C140H315N26O33S17+
• Molecular Weight: 3436.35 g/mol
• Exact Mass: 3432.90
• IUPAC Name: bis(methylsulfanyl)methane;diethyl(dimethyl)azanium;dimethoxymethane;dimethyl carbonate;N,4-dimethyl-1,3-oxazol-2-amine;N,5-dimethyl-1,3-oxazol-2-amine;N,4-dimethylpyridin-2-amine;N,4-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;1,3-dimethylurea;ethoxyethane;N-ethoxymethanamine;N-ethylethanamine;N-ethylethanimine;ethylsulfanylethane;bis(1-ethylsulfinylethane);bis(1-ethylsulfonylethane);1-methoxy-N-methylmethanamine;2-methoxy-4-methylpyridine;1-methoxypropane;methoxysulfanylethane;(methyldisulfanyl)ethane;bis(methyl N-methylcarbamate);N-methylpropanamide;methyl propanoate;N-(methylsulfamoyl)methanamine;(methylsulfanylsulfinylamino)methane;(methylsulfanylsulfonylamino)methane;pentane;(E)-pent-2-ene;pent-2-yne;N-propylacetamide
• SMILES: C/C=C/CC.C/C=N/CC.CC#CCC.CCC(=O)NC.CCC(=O)OC.CCCCC.CCCNC(C)=O.CCCOC.CCNCC.CCOCC.CCONC.CCS(=O)(=O)CC.CCS(=O)(=O)CC.CCS(=O)CC.CCS(=O)CC.CCSCC.CCSOC.CCSSC.CC[N+](C)(C)CC.CNC(=O)NC.CNC(=O)OC.CNC(=O)OC.CNCOC.CNS(=O)(=O)NC.CNS(=O)(=O)SC.CNS(=O)SC.CNc1cc(C)ccn1.CNc1nc(C)co1.CNc1nc(C)cs1.CNc1ncc(C)o1.CNc1ncc(C)s1.COC(=O)OC.COCOC.COc1cc(C)ccn1.CSCSC
• InChI: InChI=1S/C7H10N2.C7H9NO.C6H16N.2C5H8N2O.2C5H8N2S.C5H11NO.C5H12.C5H10.C5H8.C4H9NO.C4H11N.C4H9N.2C4H10O2S.C4H8O2.2C4H10OS.2C4H10O.C4H10S.C3H8N2O.2C3H7NO2.2C3H9NO.C3H6O3.C3H8O2.C3H8OS.2C3H8S2.C2H8N2O2S.C2H7NO2S2.C2H7NOS2/c1-6-3-4-9-7(5-6)8-2;1-6-3-4-8-7(5-6)9-2;1-5-7(3,4)6-2;1-4-3-8-5(6-2)7-4;1-4-3-7-5(6-2)8-4;1-4-3-8-5(6-2)7-4;1-4-3-7-5(6-2)8-4;1-3-4-6-5(2)7;3*1-3-5-4-2;1-3-4(6)5-2;2*1-3-5-4-2;2*1-3-7(5,6)4-2;1-3-4(5)6-2;2*1-3-6(5)4-2;1-3-4-5-2;2*1-3-5-4-2;1-4-3(6)5-2;2*1-4-3(5)6-2;1-4-3-5-2;1-3-5-4-2;1-5-3(4)6-2;1-4-3-5-2;1-3-5-4-2;1-4-3-5-2;1-3-5-4-2;1-3-7(5,6)4-2;1-3-7(4,5)6-2;1-3-6(4)5-2/h3-5H,1-2H3,(H,8,9);3-5H,1-2H3;5-6H2,1-4H3;4*3H,1-2H3,(H,6,7);3-4H2,1-2H3,(H,6,7);3-5H2,1-2H3;3,5H,4H2,1-2H3;3H2,1-2H3;3H2,1-2H3,(H,5,6);5H,3-4H2,1-2H3;3H,4H2,1-2H3;2*3-4H2,1-2H3;3H2,1-2H3;2*3-4H2,1-2H3;3*3-4H2,1-2H3;1-2H3,(H2,4,5,6);2*1-2H3,(H,4,5);2*4H,3H2,1-2H3;1-2H3;4*3H2,1-2H3;3-4H,1-2H3;3H,1-2H3;3H,1-2H3/q;;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/b;;;;;;;;;5-3+;;;;5-3+
• InChIKey: GXGDKPXSNAZYRZ-SYEQSNHXSA-N
• XLogP: 27.50
• TPSA: 759.77 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 58
• Rotatable Bonds: 50
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3436.35
LogP ≤ 5	27.50
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	58

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(methylsulfanyl)methane;diethyl(dimethyl)azanium;dimethoxymethane;dimethyl carbonate;N,4-dimethyl-1,3-oxazol-2-amine;N,5-dimethyl-1,3-oxazol-2-amine;N,4-dimethylpyridin-2-amine;N,4-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;1,3-dimethylurea;ethoxyethane;N-ethoxymethanamine;N-ethylethanamine;N-ethylethanimine;ethylsulfanylethane;bis(1-ethylsulfinylethane);bis(1-ethylsulfonylethane);1-methoxy-N-methylmethanamine;2-methoxy-4-methylpyridine;1-methoxypropane;methoxysulfanylethane;(methyldisulfanyl)ethane;bis(methyl N-methylcarbamate);N-methylpropanamide;methyl propanoate;N-(methylsulfamoyl)methanamine;(methylsulfanylsulfinylamino)methane;(methylsulfanylsulfonylamino)methane;pentane;(E)-pent-2-ene;pent-2-yne;N-propylacetamide?

The IUPAC name of bis(methylsulfanyl)methane;diethyl(dimethyl)azanium;dimethoxymethane;dimethyl carbonate;N,4-dimethyl-1,3-oxazol-2-amine;N,5-dimethyl-1,3-oxazol-2-amine;N,4-dimethylpyridin-2-amine;N,4-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;1,3-dimethylurea;ethoxyethane;N-ethoxymethanamine;N-ethylethanamine;N-ethylethanimine;ethylsulfanylethane;bis(1-ethylsulfinylethane);bis(1-ethylsulfonylethane);1-methoxy-N-methylmethanamine;2-methoxy-4-methylpyridine;1-methoxypropane;methoxysulfanylethane;(methyldisulfanyl)ethane;bis(methyl N-methylcarbamate);N-methylpropanamide;methyl propanoate;N-(methylsulfamoyl)methanamine;(methylsulfanylsulfinylamino)methane;(methylsulfanylsulfonylamino)methane;pentane;(E)-pent-2-ene;pent-2-yne;N-propylacetamide (CID 158393433) is bis(methylsulfanyl)methane;diethyl(dimethyl)azanium;dimethoxymethane;dimethyl carbonate;N,4-dimethyl-1,3-oxazol-2-amine;N,5-dimethyl-1,3-oxazol-2-amine;N,4-dimethylpyridin-2-amine;N,4-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;1,3-dimethylurea;ethoxyethane;N-ethoxymethanamine;N-ethylethanamine;N-ethylethanimine;ethylsulfanylethane;bis(1-ethylsulfinylethane);bis(1-ethylsulfonylethane);1-methoxy-N-methylmethanamine;2-methoxy-4-methylpyridine;1-methoxypropane;methoxysulfanylethane;(methyldisulfanyl)ethane;bis(methyl N-methylcarbamate);N-methylpropanamide;methyl propanoate;N-(methylsulfamoyl)methanamine;(methylsulfanylsulfinylamino)methane;(methylsulfanylsulfonylamino)methane;pentane;(E)-pent-2-ene;pent-2-yne;N-propylacetamide.

What is the SMILES notation for bis(methylsulfanyl)methane;diethyl(dimethyl)azanium;dimethoxymethane;dimethyl carbonate;N,4-dimethyl-1,3-oxazol-2-amine;N,5-dimethyl-1,3-oxazol-2-amine;N,4-dimethylpyridin-2-amine;N,4-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;1,3-dimethylurea;ethoxyethane;N-ethoxymethanamine;N-ethylethanamine;N-ethylethanimine;ethylsulfanylethane;bis(1-ethylsulfinylethane);bis(1-ethylsulfonylethane);1-methoxy-N-methylmethanamine;2-methoxy-4-methylpyridine;1-methoxypropane;methoxysulfanylethane;(methyldisulfanyl)ethane;bis(methyl N-methylcarbamate);N-methylpropanamide;methyl propanoate;N-(methylsulfamoyl)methanamine;(methylsulfanylsulfinylamino)methane;(methylsulfanylsulfonylamino)methane;pentane;(E)-pent-2-ene;pent-2-yne;N-propylacetamide?

The canonical SMILES for bis(methylsulfanyl)methane;diethyl(dimethyl)azanium;dimethoxymethane;dimethyl carbonate;N,4-dimethyl-1,3-oxazol-2-amine;N,5-dimethyl-1,3-oxazol-2-amine;N,4-dimethylpyridin-2-amine;N,4-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;1,3-dimethylurea;ethoxyethane;N-ethoxymethanamine;N-ethylethanamine;N-ethylethanimine;ethylsulfanylethane;bis(1-ethylsulfinylethane);bis(1-ethylsulfonylethane);1-methoxy-N-methylmethanamine;2-methoxy-4-methylpyridine;1-methoxypropane;methoxysulfanylethane;(methyldisulfanyl)ethane;bis(methyl N-methylcarbamate);N-methylpropanamide;methyl propanoate;N-(methylsulfamoyl)methanamine;(methylsulfanylsulfinylamino)methane;(methylsulfanylsulfonylamino)methane;pentane;(E)-pent-2-ene;pent-2-yne;N-propylacetamide is C/C=C/CC.C/C=N/CC.CC#CCC.CCC(=O)NC.CCC(=O)OC.CCCCC.CCCNC(C)=O.CCCOC.CCNCC.CCOCC.CCONC.CCS(=O)(=O)CC.CCS(=O)(=O)CC.CCS(=O)CC.CCS(=O)CC.CCSCC.CCSOC.CCSSC.CC[N+](C)(C)CC.CNC(=O)NC.CNC(=O)OC.CNC(=O)OC.CNCOC.CNS(=O)(=O)NC.CNS(=O)(=O)SC.CNS(=O)SC.CNc1cc(C)ccn1.CNc1nc(C)co1.CNc1nc(C)cs1.CNc1ncc(C)o1.CNc1ncc(C)s1.COC(=O)OC.COCOC.COc1cc(C)ccn1.CSCSC.

What is the InChIKey of bis(methylsulfanyl)methane;diethyl(dimethyl)azanium;dimethoxymethane;dimethyl carbonate;N,4-dimethyl-1,3-oxazol-2-amine;N,5-dimethyl-1,3-oxazol-2-amine;N,4-dimethylpyridin-2-amine;N,4-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;1,3-dimethylurea;ethoxyethane;N-ethoxymethanamine;N-ethylethanamine;N-ethylethanimine;ethylsulfanylethane;bis(1-ethylsulfinylethane);bis(1-ethylsulfonylethane);1-methoxy-N-methylmethanamine;2-methoxy-4-methylpyridine;1-methoxypropane;methoxysulfanylethane;(methyldisulfanyl)ethane;bis(methyl N-methylcarbamate);N-methylpropanamide;methyl propanoate;N-(methylsulfamoyl)methanamine;(methylsulfanylsulfinylamino)methane;(methylsulfanylsulfonylamino)methane;pentane;(E)-pent-2-ene;pent-2-yne;N-propylacetamide?

The InChIKey is GXGDKPXSNAZYRZ-SYEQSNHXSA-N. The full InChI is InChI=1S/C7H10N2.C7H9NO.C6H16N.2C5H8N2O.2C5H8N2S.C5H11NO.C5H12.C5H10.C5H8.C4H9NO.C4H11N.C4H9N.2C4H10O2S.C4H8O2.2C4H10OS.2C4H10O.C4H10S.C3H8N2O.2C3H7NO2.2C3H9NO.C3H6O3.C3H8O2.C3H8OS.2C3H8S2.C2H8N2O2S.C2H7NO2S2.C2H7NOS2/c1-6-3-4-9-7(5-6)8-2;1-6-3-4-8-7(5-6)9-2;1-5-7(3,4)6-2;1-4-3-8-5(6-2)7-4;1-4-3-7-5(6-2)8-4;1-4-3-8-5(6-2)7-4;1-4-3-7-5(6-2)8-4;1-3-4-6-5(2)7;3*1-3-5-4-2;1-3-4(6)5-2;2*1-3-5-4-2;2*1-3-7(5,6)4-2;1-3-4(5)6-2;2*1-3-6(5)4-2;1-3-4-5-2;2*1-3-5-4-2;1-4-3(6)5-2;2*1-4-3(5)6-2;1-4-3-5-2;1-3-5-4-2;1-5-3(4)6-2;1-4-3-5-2;1-3-5-4-2;1-4-3-5-2;1-3-5-4-2;1-3-7(5,6)4-2;1-3-7(4,5)6-2;1-3-6(4)5-2/h3-5H,1-2H3,(H,8,9);3-5H,1-2H3;5-6H2,1-4H3;4*3H,1-2H3,(H,6,7);3-4H2,1-2H3,(H,6,7);3-5H2,1-2H3;3,5H,4H2,1-2H3;3H2,1-2H3;3H2,1-2H3,(H,5,6);5H,3-4H2,1-2H3;3H,4H2,1-2H3;2*3-4H2,1-2H3;3H2,1-2H3;2*3-4H2,1-2H3;3*3-4H2,1-2H3;1-2H3,(H2,4,5,6);2*1-2H3,(H,4,5);2*4H,3H2,1-2H3;1-2H3;4*3H2,1-2H3;3-4H,1-2H3;3H,1-2H3;3H,1-2H3/q;;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/b;;;;;;;;;5-3+;;;;5-3+;;;;;;;;;;;;;;;;;;;;;.

What are the key properties of bis(methylsulfanyl)methane;diethyl(dimethyl)azanium;dimethoxymethane;dimethyl carbonate;N,4-dimethyl-1,3-oxazol-2-amine;N,5-dimethyl-1,3-oxazol-2-amine;N,4-dimethylpyridin-2-amine;N,4-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;1,3-dimethylurea;ethoxyethane;N-ethoxymethanamine;N-ethylethanamine;N-ethylethanimine;ethylsulfanylethane;bis(1-ethylsulfinylethane);bis(1-ethylsulfonylethane);1-methoxy-N-methylmethanamine;2-methoxy-4-methylpyridine;1-methoxypropane;methoxysulfanylethane;(methyldisulfanyl)ethane;bis(methyl N-methylcarbamate);N-methylpropanamide;methyl propanoate;N-(methylsulfamoyl)methanamine;(methylsulfanylsulfinylamino)methane;(methylsulfanylsulfonylamino)methane;pentane;(E)-pent-2-ene;pent-2-yne;N-propylacetamide?

bis(methylsulfanyl)methane;diethyl(dimethyl)azanium;dimethoxymethane;dimethyl carbonate;N,4-dimethyl-1,3-oxazol-2-amine;N,5-dimethyl-1,3-oxazol-2-amine;N,4-dimethylpyridin-2-amine;N,4-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;1,3-dimethylurea;ethoxyethane;N-ethoxymethanamine;N-ethylethanamine;N-ethylethanimine;ethylsulfanylethane;bis(1-ethylsulfinylethane);bis(1-ethylsulfonylethane);1-methoxy-N-methylmethanamine;2-methoxy-4-methylpyridine;1-methoxypropane;methoxysulfanylethane;(methyldisulfanyl)ethane;bis(methyl N-methylcarbamate);N-methylpropanamide;methyl propanoate;N-(methylsulfamoyl)methanamine;(methylsulfanylsulfinylamino)methane;(methylsulfanylsulfonylamino)methane;pentane;(E)-pent-2-ene;pent-2-yne;N-propylacetamide has a molecular weight of 3436.35 g/mol, XLogP of 27.50, 50 rotatable bonds, 18 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for bis(methylsulfanyl)methane;diethyl(dimethyl)azanium;dimethoxymethane;dimethyl carbonate;N,4-dimethyl-1,3-oxazol-2-amine;N,5-dimethyl-1,3-oxazol-2-amine;N,4-dimethylpyridin-2-amine;N,4-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;1,3-dimethylurea;ethoxyethane;N-ethoxymethanamine;N-ethylethanamine;N-ethylethanimine;ethylsulfanylethane;bis(1-ethylsulfinylethane);bis(1-ethylsulfonylethane);1-methoxy-N-methylmethanamine;2-methoxy-4-methylpyridine;1-methoxypropane;methoxysulfanylethane;(methyldisulfanyl)ethane;bis(methyl N-methylcarbamate);N-methylpropanamide;methyl propanoate;N-(methylsulfamoyl)methanamine;(methylsulfanylsulfinylamino)methane;(methylsulfanylsulfonylamino)methane;pentane;(E)-pent-2-ene;pent-2-yne;N-propylacetamide is sourced from PubChem (CID 158393433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).