[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;methyl-methylidene-oxo-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-λ6-sulfane

C75H91Cl3F6N10O6S5 — CID 157136724

About [4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;methyl-methylidene-oxo-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-λ6-sulfane

[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;methyl-methylidene-oxo-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-λ6-sulfane (PubChem CID 157136724) has the molecular formula C75H91Cl3F6N10O6S5 and a molecular weight of 1609.30 g/mol. Its IUPAC name is [4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;methyl-methylidene-oxo-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-λ6-sulfane.

Molecular Properties

• Compound Name: [4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;methyl-methylidene-oxo-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-λ6-sulfane
• PubChem CID: 157136724
• Molecular Formula: C75H91Cl3F6N10O6S5
• Molecular Weight: 1609.30 g/mol
• Exact Mass: 1606.47
• IUPAC Name: [4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;methyl-methylidene-oxo-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-λ6-sulfane
• SMILES: C=S(C)(=O)N1CCC(c2c[nH]c3cc(Cl)c(F)cc23)CC1.C=S(C)(=O)N1CCC(c2c[nH]c3cc(Cl)ccc23)CC1.C=S(C)(=O)N1CCC(c2c[nH]c3ccc(C(F)(F)F)cc23)CC1.C=S(C)(=O)N1CCC(c2c[nH]c3ccc(Cl)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3cc(F)c(F)cc23)CC1
• InChI: InChI=1S/C16H19F3N2OS.C15H18ClFN2OS.2C15H19ClN2OS.C14H16F2N2O2S/c1-23(2,22)21-7-5-11(6-8-21)14-10-20-15-4-3-12(9-13(14)15)16(17,18)19;1-21(2,20)19-5-3-10(4-6-19)12-9-18-15-8-13(16)14(17)7-11(12)15;1-20(2,19)18-7-5-11(6-8-18)14-10-17-15-4-3-12(16)9-13(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;1-21(19,20)18-4-2-9(3-5-18)11-8-17-14-7-13(16)12(15)6-10(11)14/h3-4,9-11,20H,1,5-8H2,2H3;7-10,18H,1,3-6H2,2H3;2*3-4,9-11,17H,1,5-8H2,2H3;6-9,17H,2-5H2,1H3
• InChIKey: AJSCWHDDXPFSKF-UHFFFAOYSA-N
• XLogP: 16.14
• TPSA: 197.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1609.30
LogP ≤ 5	16.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;methyl-methylidene-oxo-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-λ6-sulfane?

The IUPAC name of [4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;methyl-methylidene-oxo-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-λ6-sulfane (CID 157136724) is [4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;methyl-methylidene-oxo-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-λ6-sulfane.

What is the SMILES notation for [4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;methyl-methylidene-oxo-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-λ6-sulfane?

The canonical SMILES for [4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;methyl-methylidene-oxo-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-λ6-sulfane is C=S(C)(=O)N1CCC(c2c[nH]c3cc(Cl)c(F)cc23)CC1.C=S(C)(=O)N1CCC(c2c[nH]c3cc(Cl)ccc23)CC1.C=S(C)(=O)N1CCC(c2c[nH]c3ccc(C(F)(F)F)cc23)CC1.C=S(C)(=O)N1CCC(c2c[nH]c3ccc(Cl)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3cc(F)c(F)cc23)CC1.

What is the InChIKey of [4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;methyl-methylidene-oxo-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-λ6-sulfane?

The InChIKey is AJSCWHDDXPFSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2OS.C15H18ClFN2OS.2C15H19ClN2OS.C14H16F2N2O2S/c1-23(2,22)21-7-5-11(6-8-21)14-10-20-15-4-3-12(9-13(14)15)16(17,18)19;1-21(2,20)19-5-3-10(4-6-19)12-9-18-15-8-13(16)14(17)7-11(12)15;1-20(2,19)18-7-5-11(6-8-18)14-10-17-15-4-3-12(16)9-13(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;1-21(19,20)18-4-2-9(3-5-18)11-8-17-14-7-13(16)12(15)6-10(11)14/h3-4,9-11,20H,1,5-8H2,2H3;7-10,18H,1,3-6H2,2H3;2*3-4,9-11,17H,1,5-8H2,2H3;6-9,17H,2-5H2,1H3.

What are the key properties of [4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;methyl-methylidene-oxo-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-λ6-sulfane?

[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;methyl-methylidene-oxo-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-λ6-sulfane has a molecular weight of 1609.30 g/mol, XLogP of 16.14, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;methyl-methylidene-oxo-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-λ6-sulfane is sourced from PubChem (CID 157136724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).