3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-(1H-1,2,4-triazol-5-yl)aniline

C101H136F3N27O8S3 — CID 159457852

About 3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-(1H-1,2,4-triazol-5-yl)aniline

3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-(1H-1,2,4-triazol-5-yl)aniline (PubChem CID 159457852) has the molecular formula C101H136F3N27O8S3 and a molecular weight of 2009.57 g/mol. Its IUPAC name is 3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-(1H-1,2,4-triazol-5-yl)aniline.

Molecular Properties

• Compound Name: 3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-(1H-1,2,4-triazol-5-yl)aniline
• PubChem CID: 159457852
• Molecular Formula: C101H136F3N27O8S3
• Molecular Weight: 2009.57 g/mol
• Exact Mass: 2008.02
• IUPAC Name: 3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-(1H-1,2,4-triazol-5-yl)aniline
• SMILES: C=S(=O)(NCC)c1cccc(NC)c1.CCNS(=O)(=O)c1cccc(NC)c1.CCNS(=O)(=O)c1cccc(NC)c1.CNC(=O)c1cc(NC)cc(C(F)(F)F)c1.CNc1cccc(-c2ccn(C)n2)c1.CNc1cccc(-c2ncn[nH]2)c1.CNc1cccc(-c2nncn2C)c1.CNc1cccc(N2CCCCC2)c1.CNc1cccc(N2CCN(C)C2=O)c1.CNc1cccc(N2CCNC2=O)c1
• InChI: InChI=1S/C12H18N2.C11H15N3O.C11H13N3.C10H11F3N2O.C10H12N4.C10H13N3O.C10H16N2OS.C9H10N4.2C9H14N2O2S/c1-13-11-6-5-7-12(10-11)14-8-3-2-4-9-14;1-12-9-4-3-5-10(8-9)14-7-6-13(2)11(14)15;1-12-10-5-3-4-9(8-10)11-6-7-14(2)13-11;1-14-8-4-6(9(16)15-2)3-7(5-8)10(11,12)13;1-11-9-5-3-4-8(6-9)10-13-12-7-14(10)2;1-11-8-3-2-4-9(7-8)13-6-5-12-10(13)14;1-4-12-14(3,13)10-7-5-6-9(8-10)11-2;1-10-8-4-2-3-7(5-8)9-11-6-12-13-9;2*1-3-11-14(12,13)9-6-4-5-8(7-9)10-2/h5-7,10,13H,2-4,8-9H2,1H3;3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;3-5,14H,1-2H3,(H,15,16);3-7,11H,1-2H3;2-4,7,11H,5-6H2,1H3,(H,12,14);5-8,11H,3-4H2,1-2H3,(H,12,13);2-6,10H,1H3,(H,11,12,13);2*4-7,10-11H,3H2,1-2H3
• InChIKey: LUFBWDCJTLBSNJ-UHFFFAOYSA-N
• XLogP: 16.23
• TPSA: 420.07 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2009.57
LogP ≤ 5	16.23
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	26

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);1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-(1H-1,2,4-triazol-5-yl)aniline?

The IUPAC name of 3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-(1H-1,2,4-triazol-5-yl)aniline (CID 159457852) is 3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-(1H-1,2,4-triazol-5-yl)aniline.

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

The canonical SMILES for 3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-(1H-1,2,4-triazol-5-yl)aniline is C=S(=O)(NCC)c1cccc(NC)c1.CCNS(=O)(=O)c1cccc(NC)c1.CCNS(=O)(=O)c1cccc(NC)c1.CNC(=O)c1cc(NC)cc(C(F)(F)F)c1.CNc1cccc(-c2ccn(C)n2)c1.CNc1cccc(-c2ncn[nH]2)c1.CNc1cccc(-c2nncn2C)c1.CNc1cccc(N2CCCCC2)c1.CNc1cccc(N2CCN(C)C2=O)c1.CNc1cccc(N2CCNC2=O)c1.

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

The InChIKey is LUFBWDCJTLBSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.C11H15N3O.C11H13N3.C10H11F3N2O.C10H12N4.C10H13N3O.C10H16N2OS.C9H10N4.2C9H14N2O2S/c1-13-11-6-5-7-12(10-11)14-8-3-2-4-9-14;1-12-9-4-3-5-10(8-9)14-7-6-13(2)11(14)15;1-12-10-5-3-4-9(8-10)11-6-7-14(2)13-11;1-14-8-4-6(9(16)15-2)3-7(5-8)10(11,12)13;1-11-9-5-3-4-8(6-9)10-13-12-7-14(10)2;1-11-8-3-2-4-9(7-8)13-6-5-12-10(13)14;1-4-12-14(3,13)10-7-5-6-9(8-10)11-2;1-10-8-4-2-3-7(5-8)9-11-6-12-13-9;2*1-3-11-14(12,13)9-6-4-5-8(7-9)10-2/h5-7,10,13H,2-4,8-9H2,1H3;3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;3-5,14H,1-2H3,(H,15,16);3-7,11H,1-2H3;2-4,7,11H,5-6H2,1H3,(H,12,14);5-8,11H,3-4H2,1-2H3,(H,12,13);2-6,10H,1H3,(H,11,12,13);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);1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-(1H-1,2,4-triazol-5-yl)aniline?

3-(ethylamino-methylidene-oxo-λ6-sulfanyl)-N-methylaniline;bis(N-ethyl-3-(methylamino)benzenesulfonamide);1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-(1H-1,2,4-triazol-5-yl)aniline has a molecular weight of 2009.57 g/mol, XLogP of 16.23, 26 rotatable bonds, 16 hydrogen bond donors, and 26 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);1-[3-(methylamino)phenyl]imidazolidin-2-one;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-(1H-1,2,4-triazol-5-yl)aniline is sourced from PubChem (CID 159457852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).