1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-7-amine;1,3,4-thiadiazol-2-amine;trifluoromethanesulfinate;1,1,1-trifluoro-N-[1-(2-methylpropyl)-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide

C32H42F6N11O4S4- — CID 158471679

About 1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-7-amine;1,3,4-thiadiazol-2-amine;trifluoromethanesulfinate;1,1,1-trifluoro-N-[1-(2-methylpropyl)-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide

1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-7-amine;1,3,4-thiadiazol-2-amine;trifluoromethanesulfinate;1,1,1-trifluoro-N-[1-(2-methylpropyl)-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide (PubChem CID 158471679) has the molecular formula C32H42F6N11O4S4- and a molecular weight of 887.02 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-7-amine;1,3,4-thiadiazol-2-amine;trifluoromethanesulfinate;1,1,1-trifluoro-N-[1-(2-methylpropyl)-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide.

Molecular Properties

• Compound Name: 1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-7-amine;1,3,4-thiadiazol-2-amine;trifluoromethanesulfinate;1,1,1-trifluoro-N-[1-(2-methylpropyl)-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide
• PubChem CID: 158471679
• Molecular Formula: C32H42F6N11O4S4-
• Molecular Weight: 887.02 g/mol
• Exact Mass: 886.22
• IUPAC Name: 1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-7-amine;1,3,4-thiadiazol-2-amine;trifluoromethanesulfinate;1,1,1-trifluoro-N-[1-(2-methylpropyl)-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide
• SMILES: CC(C)CN1CCCc2cc(/N=N/c3nncs3)c(NS(=O)(=O)C(F)(F)F)cc21.CC(C)CN1CCCc2ccc(N)cc21.Nc1nncs1.O=S([O-])C(F)(F)F
• InChI: InChI=1S/C16H19F3N6O2S2.C13H20N2.C2H3N3S.CHF3O2S/c1-10(2)8-25-5-3-4-11-6-12(21-23-15-22-20-9-28-15)13(7-14(11)25)24-29(26,27)16(17,18)19;1-10(2)9-15-7-3-4-11-5-6-12(14)8-13(11)15;3-2-5-4-1-6-2;2-1(3,4)7(5)6/h6-7,9-10,24H,3-5,8H2,1-2H3;5-6,8,10H,3-4,7,9,14H2,1-2H3;1H,(H2,3,5);(H,5,6)/p-1/b23-21+
• InChIKey: SGKNHENIDINQMD-DPUQHIACSA-M
• XLogP: 7.81
• TPSA: 221.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	887.02
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-7-amine;1,3,4-thiadiazol-2-amine;trifluoromethanesulfinate;1,1,1-trifluoro-N-[1-(2-methylpropyl)-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?

The IUPAC name of 1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-7-amine;1,3,4-thiadiazol-2-amine;trifluoromethanesulfinate;1,1,1-trifluoro-N-[1-(2-methylpropyl)-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide (CID 158471679) is 1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-7-amine;1,3,4-thiadiazol-2-amine;trifluoromethanesulfinate;1,1,1-trifluoro-N-[1-(2-methylpropyl)-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide.

What is the SMILES notation for 1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-7-amine;1,3,4-thiadiazol-2-amine;trifluoromethanesulfinate;1,1,1-trifluoro-N-[1-(2-methylpropyl)-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?

The canonical SMILES for 1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-7-amine;1,3,4-thiadiazol-2-amine;trifluoromethanesulfinate;1,1,1-trifluoro-N-[1-(2-methylpropyl)-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide is CC(C)CN1CCCc2cc(/N=N/c3nncs3)c(NS(=O)(=O)C(F)(F)F)cc21.CC(C)CN1CCCc2ccc(N)cc21.Nc1nncs1.O=S([O-])C(F)(F)F.

What is the InChIKey of 1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-7-amine;1,3,4-thiadiazol-2-amine;trifluoromethanesulfinate;1,1,1-trifluoro-N-[1-(2-methylpropyl)-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?

The InChIKey is SGKNHENIDINQMD-DPUQHIACSA-M. The full InChI is InChI=1S/C16H19F3N6O2S2.C13H20N2.C2H3N3S.CHF3O2S/c1-10(2)8-25-5-3-4-11-6-12(21-23-15-22-20-9-28-15)13(7-14(11)25)24-29(26,27)16(17,18)19;1-10(2)9-15-7-3-4-11-5-6-12(14)8-13(11)15;3-2-5-4-1-6-2;2-1(3,4)7(5)6/h6-7,9-10,24H,3-5,8H2,1-2H3;5-6,8,10H,3-4,7,9,14H2,1-2H3;1H,(H2,3,5);(H,5,6)/p-1/b23-21+;;;.

What are the key properties of 1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-7-amine;1,3,4-thiadiazol-2-amine;trifluoromethanesulfinate;1,1,1-trifluoro-N-[1-(2-methylpropyl)-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?

1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-7-amine;1,3,4-thiadiazol-2-amine;trifluoromethanesulfinate;1,1,1-trifluoro-N-[1-(2-methylpropyl)-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide has a molecular weight of 887.02 g/mol, XLogP of 7.81, 8 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-7-amine;1,3,4-thiadiazol-2-amine;trifluoromethanesulfinate;1,1,1-trifluoro-N-[1-(2-methylpropyl)-6-(1,3,4-thiadiazol-2-yldiazenyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide is sourced from PubChem (CID 158471679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).