[4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(2-methoxyethyl)-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane

C66H83F7N10O5S4 — CID 161026482

About [4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(2-methoxyethyl)-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane

[4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(2-methoxyethyl)-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane (PubChem CID 161026482) has the molecular formula C66H83F7N10O5S4 and a molecular weight of 1357.71 g/mol. Its IUPAC name is [4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(2-methoxyethyl)-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane.

Molecular Properties

• Compound Name: [4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(2-methoxyethyl)-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane
• PubChem CID: 161026482
• Molecular Formula: C66H83F7N10O5S4
• Molecular Weight: 1357.71 g/mol
• Exact Mass: 1356.53
• IUPAC Name: [4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(2-methoxyethyl)-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane
• SMILES: C=S(=O)(CC(F)(F)F)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.C=S(=O)(CCOC)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.C=S(=O)(c1cnn(C)c1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.C=S(C)(=O)N1CCC(C2CNc3cc(F)ccc32)CC1
• InChI: InChI=1S/C18H21FN4OS.C17H23FN2O2S.C16H18F4N2OS.C15H21FN2OS/c1-22-12-15(10-21-22)25(2,24)23-7-5-13(6-8-23)17-11-20-18-9-14(19)3-4-16(17)18;1-22-9-10-23(2,21)20-7-5-13(6-8-20)16-12-19-17-11-14(18)3-4-15(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;1-20(2,19)18-7-5-11(6-8-18)14-10-17-15-9-12(16)3-4-13(14)15/h3-4,9-13,20H,2,5-8H2,1H3;3-4,11-13,19H,2,5-10H2,1H3;2-3,8-9,11,21H,1,4-7,10H2;3-4,9,11,14,17H,1,5-8,10H2,2H3
• InChIKey: TZAVHYUJCNPRTG-UHFFFAOYSA-N
• XLogP: 11.66
• TPSA: 167.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1357.71
LogP ≤ 5	11.66
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 [4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(2-methoxyethyl)-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane?

The IUPAC name of [4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(2-methoxyethyl)-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane (CID 161026482) is [4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(2-methoxyethyl)-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane.

What is the SMILES notation for [4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(2-methoxyethyl)-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane?

The canonical SMILES for [4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(2-methoxyethyl)-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane is C=S(=O)(CC(F)(F)F)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.C=S(=O)(CCOC)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.C=S(=O)(c1cnn(C)c1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.C=S(C)(=O)N1CCC(C2CNc3cc(F)ccc32)CC1.

What is the InChIKey of [4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(2-methoxyethyl)-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane?

The InChIKey is TZAVHYUJCNPRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4OS.C17H23FN2O2S.C16H18F4N2OS.C15H21FN2OS/c1-22-12-15(10-21-22)25(2,24)23-7-5-13(6-8-23)17-11-20-18-9-14(19)3-4-16(17)18;1-22-9-10-23(2,21)20-7-5-13(6-8-20)16-12-19-17-11-14(18)3-4-15(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;1-20(2,19)18-7-5-11(6-8-18)14-10-17-15-9-12(16)3-4-13(14)15/h3-4,9-13,20H,2,5-8H2,1H3;3-4,11-13,19H,2,5-10H2,1H3;2-3,8-9,11,21H,1,4-7,10H2;3-4,9,11,14,17H,1,5-8,10H2,2H3.

What are the key properties of [4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(2-methoxyethyl)-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane?

[4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(2-methoxyethyl)-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane has a molecular weight of 1357.71 g/mol, XLogP of 11.66, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(2-methoxyethyl)-methylidene-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane is sourced from PubChem (CID 161026482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).