cyclopropyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole

C66H79F7N10O6S4 — CID 162255271

About cyclopropyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole

cyclopropyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole (PubChem CID 162255271) has the molecular formula C66H79F7N10O6S4 and a molecular weight of 1369.68 g/mol. Its IUPAC name is cyclopropyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole.

Molecular Properties

• Compound Name: cyclopropyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole
• PubChem CID: 162255271
• Molecular Formula: C66H79F7N10O6S4
• Molecular Weight: 1369.68 g/mol
• Exact Mass: 1368.50
• IUPAC Name: cyclopropyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole
• SMILES: C=S(=O)(C1CC1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.C=S(=O)(CC(F)(F)F)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.CC(C)S(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.Cn1cc(S(=O)(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cn1
• InChI: InChI=1S/C17H19FN4O2S.C17H21FN2OS.C16H18F4N2OS.C16H21FN2O2S/c1-21-11-14(9-20-21)25(23,24)22-6-4-12(5-7-22)16-10-19-17-8-13(18)2-3-15(16)17;1-22(21,14-3-4-14)20-8-6-12(7-9-20)16-11-19-17-10-13(18)2-5-15(16)17;1-24(23,10-16(18,19)20)22-6-4-11(5-7-22)14-9-21-15-8-12(17)2-3-13(14)15;1-11(2)22(20,21)19-7-5-12(6-8-19)15-10-18-16-9-13(17)3-4-14(15)16/h2-3,8-12,19H,4-7H2,1H3;2,5,10-12,14,19H,1,3-4,6-9H2;2-3,8-9,11,21H,1,4-7,10H2;3-4,9-12,18H,5-8H2,1-2H3
• InChIKey: ZYMYZQZBLNOIFZ-UHFFFAOYSA-N
• XLogP: 12.79
• TPSA: 196.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1369.68
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole?

The IUPAC name of cyclopropyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole (CID 162255271) is cyclopropyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole.

What is the SMILES notation for cyclopropyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole?

The canonical SMILES for cyclopropyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole is C=S(=O)(C1CC1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.C=S(=O)(CC(F)(F)F)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.CC(C)S(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.Cn1cc(S(=O)(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cn1.

What is the InChIKey of cyclopropyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole?

The InChIKey is ZYMYZQZBLNOIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S.C17H21FN2OS.C16H18F4N2OS.C16H21FN2O2S/c1-21-11-14(9-20-21)25(23,24)22-6-4-12(5-7-22)16-10-19-17-8-13(18)2-3-15(16)17;1-22(21,14-3-4-14)20-8-6-12(7-9-20)16-11-19-17-10-13(18)2-5-15(16)17;1-24(23,10-16(18,19)20)22-6-4-11(5-7-22)14-9-21-15-8-12(17)2-3-13(14)15;1-11(2)22(20,21)19-7-5-12(6-8-19)15-10-18-16-9-13(17)3-4-14(15)16/h2-3,8-12,19H,4-7H2,1H3;2,5,10-12,14,19H,1,3-4,6-9H2;2-3,8-9,11,21H,1,4-7,10H2;3-4,9-12,18H,5-8H2,1-2H3.

What are the key properties of cyclopropyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole?

cyclopropyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole has a molecular weight of 1369.68 g/mol, XLogP of 12.79, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 162255271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).