3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-amino-4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;4-(trifluoromethyl)piperidin-4-amine

C43H56Cl3F9N14O2S2 — CID 158031069

About 3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-amino-4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;4-(trifluoromethyl)piperidin-4-amine

3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-amino-4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;4-(trifluoromethyl)piperidin-4-amine (PubChem CID 158031069) has the molecular formula C43H56Cl3F9N14O2S2 and a molecular weight of 1142.49 g/mol. Its IUPAC name is 3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-amino-4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;4-(trifluoromethyl)piperidin-4-amine.

Molecular Properties

• Compound Name: 3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-amino-4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;4-(trifluoromethyl)piperidin-4-amine
• PubChem CID: 158031069
• Molecular Formula: C43H56Cl3F9N14O2S2
• Molecular Weight: 1142.49 g/mol
• Exact Mass: 1140.31
• IUPAC Name: 3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-amino-4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;4-(trifluoromethyl)piperidin-4-amine
• SMILES: CC(C)(C)OC(=O)N1CCC(N)(C(F)(F)F)CC1.NC1(C(F)(F)F)CCNCC1.Nc1cccc(Sc2ncc(Cl)nc2N)c1Cl.Nc1cccc(Sc2ncc(N3CCC(N)(C(F)(F)F)CC3)nc2N)c1Cl
• InChI: InChI=1S/C16H18ClF3N6S.C11H19F3N2O2.C10H8Cl2N4S.C6H11F3N2/c17-12-9(21)2-1-3-10(12)27-14-13(22)25-11(8-24-14)26-6-4-15(23,5-7-26)16(18,19)20;1-9(2,3)18-8(17)16-6-4-10(15,5-7-16)11(12,13)14;11-7-4-15-10(9(14)16-7)17-6-3-1-2-5(13)8(6)12;7-6(8,9)5(10)1-3-11-4-2-5/h1-3,8H,4-7,21,23H2,(H2,22,25);4-7,15H2,1-3H3;1-4H,13H2,(H2,14,16);11H,1-4,10H2
• InChIKey: FHEJNINHFBJPOL-UHFFFAOYSA-N
• XLogP: 9.31
• TPSA: 278.51 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 5
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1142.49
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-amino-4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;4-(trifluoromethyl)piperidin-4-amine?

The IUPAC name of 3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-amino-4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;4-(trifluoromethyl)piperidin-4-amine (CID 158031069) is 3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-amino-4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;4-(trifluoromethyl)piperidin-4-amine.

What is the SMILES notation for 3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-amino-4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;4-(trifluoromethyl)piperidin-4-amine?

The canonical SMILES for 3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-amino-4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;4-(trifluoromethyl)piperidin-4-amine is CC(C)(C)OC(=O)N1CCC(N)(C(F)(F)F)CC1.NC1(C(F)(F)F)CCNCC1.Nc1cccc(Sc2ncc(Cl)nc2N)c1Cl.Nc1cccc(Sc2ncc(N3CCC(N)(C(F)(F)F)CC3)nc2N)c1Cl.

What is the InChIKey of 3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-amino-4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;4-(trifluoromethyl)piperidin-4-amine?

The InChIKey is FHEJNINHFBJPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N6S.C11H19F3N2O2.C10H8Cl2N4S.C6H11F3N2/c17-12-9(21)2-1-3-10(12)27-14-13(22)25-11(8-24-14)26-6-4-15(23,5-7-26)16(18,19)20;1-9(2,3)18-8(17)16-6-4-10(15,5-7-16)11(12,13)14;11-7-4-15-10(9(14)16-7)17-6-3-1-2-5(13)8(6)12;7-6(8,9)5(10)1-3-11-4-2-5/h1-3,8H,4-7,21,23H2,(H2,22,25);4-7,15H2,1-3H3;1-4H,13H2,(H2,14,16);11H,1-4,10H2.

What are the key properties of 3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-amino-4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;4-(trifluoromethyl)piperidin-4-amine?

3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-amino-4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;4-(trifluoromethyl)piperidin-4-amine has a molecular weight of 1142.49 g/mol, XLogP of 9.31, 5 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-amino-4-(trifluoromethyl)piperidin-1-yl]pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;4-(trifluoromethyl)piperidin-4-amine is sourced from PubChem (CID 158031069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).