3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);3-(1H-imidazol-5-yl)-N-methylaniline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline

C70H93F3N18O5S3 — CID 161288441

About 3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);3-(1H-imidazol-5-yl)-N-methylaniline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline

3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);3-(1H-imidazol-5-yl)-N-methylaniline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 161288441) has the molecular formula C70H93F3N18O5S3 and a molecular weight of 1419.83 g/mol. Its IUPAC name is 3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);3-(1H-imidazol-5-yl)-N-methylaniline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

• Compound Name: 3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);3-(1H-imidazol-5-yl)-N-methylaniline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline
• PubChem CID: 161288441
• Molecular Formula: C70H93F3N18O5S3
• Molecular Weight: 1419.83 g/mol
• Exact Mass: 1418.67
• IUPAC Name: 3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);3-(1H-imidazol-5-yl)-N-methylaniline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline
• SMILES: C=C(NC)c1cc(NC)cc(C(F)(F)F)c1.C=S(=O)(NCC)c1cccc(NC)c1.CCNS(=O)(=O)c1cccc(NC)c1.CCNS(=O)(=O)c1cccc(NC)c1.CNc1cccc(-c2ccn(C)n2)c1.CNc1cccc(-c2cnc[nH]2)c1.CNc1cccc(-c2nncn2C)c1
• InChI: InChI=1S/C11H13F3N2.C11H13N3.C10H12N4.C10H11N3.C10H16N2OS.2C9H14N2O2S/c1-7(15-2)8-4-9(11(12,13)14)6-10(5-8)16-3;1-12-10-5-3-4-9(8-10)11-6-7-14(2)13-11;1-11-9-5-3-4-8(6-9)10-13-12-7-14(10)2;1-11-9-4-2-3-8(5-9)10-6-12-7-13-10;1-4-12-14(3,13)10-7-5-6-9(8-10)11-2;2*1-3-11-14(12,13)9-6-4-5-8(7-9)10-2/h4-6,15-16H,1H2,2-3H3;3-8,12H,1-2H3;3-7,11H,1-2H3;2-7,11H,1H3,(H,12,13);5-8,11H,3-4H2,1-2H3,(H,12,13);2*4-7,10-11H,3H2,1-2H3
• InChIKey: VGALJTKDZBBSFL-UHFFFAOYSA-N
• XLogP: 12.09
• TPSA: 294.89 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 19
• Rotatable Bonds: 21
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1419.83
LogP ≤ 5	12.09
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);3-(1H-imidazol-5-yl)-N-methylaniline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline?

The IUPAC name of 3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);3-(1H-imidazol-5-yl)-N-methylaniline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline (CID 161288441) is 3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);3-(1H-imidazol-5-yl)-N-methylaniline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline.

What is the SMILES notation for 3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);3-(1H-imidazol-5-yl)-N-methylaniline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline?

The canonical SMILES for 3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);3-(1H-imidazol-5-yl)-N-methylaniline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline is C=C(NC)c1cc(NC)cc(C(F)(F)F)c1.C=S(=O)(NCC)c1cccc(NC)c1.CCNS(=O)(=O)c1cccc(NC)c1.CCNS(=O)(=O)c1cccc(NC)c1.CNc1cccc(-c2ccn(C)n2)c1.CNc1cccc(-c2cnc[nH]2)c1.CNc1cccc(-c2nncn2C)c1.

What is the InChIKey of 3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);3-(1H-imidazol-5-yl)-N-methylaniline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline?

The InChIKey is VGALJTKDZBBSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2.C11H13N3.C10H12N4.C10H11N3.C10H16N2OS.2C9H14N2O2S/c1-7(15-2)8-4-9(11(12,13)14)6-10(5-8)16-3;1-12-10-5-3-4-9(8-10)11-6-7-14(2)13-11;1-11-9-5-3-4-8(6-9)10-13-12-7-14(10)2;1-11-9-4-2-3-8(5-9)10-6-12-7-13-10;1-4-12-14(3,13)10-7-5-6-9(8-10)11-2;2*1-3-11-14(12,13)9-6-4-5-8(7-9)10-2/h4-6,15-16H,1H2,2-3H3;3-8,12H,1-2H3;3-7,11H,1-2H3;2-7,11H,1H3,(H,12,13);5-8,11H,3-4H2,1-2H3,(H,12,13);2*4-7,10-11H,3H2,1-2H3.

What are the key properties of 3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);3-(1H-imidazol-5-yl)-N-methylaniline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline?

3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);3-(1H-imidazol-5-yl)-N-methylaniline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 1419.83 g/mol, XLogP of 12.09, 21 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);3-(1H-imidazol-5-yl)-N-methylaniline;N-methyl-3-[1-(methylamino)ethenyl]-5-(trifluoromethyl)aniline;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 161288441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).