3-[1-(amino-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole

C78H101F4N13O7S5 — CID 159420205

About 3-[1-(amino-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole

3-[1-(amino-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole (PubChem CID 159420205) has the molecular formula C78H101F4N13O7S5 and a molecular weight of 1569.08 g/mol. Its IUPAC name is 3-[1-(amino-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole.

Molecular Properties

• Compound Name: 3-[1-(amino-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole
• PubChem CID: 159420205
• Molecular Formula: C78H101F4N13O7S5
• Molecular Weight: 1569.08 g/mol
• Exact Mass: 1567.65
• IUPAC Name: 3-[1-(amino-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole
• SMILES: C=S(C)(=O)N1CC=C(c2c[nH]c3cc(F)cc(F)c23)CC1.C=S(C)(=O)N1CCC(c2c[nH]c3cc(F)cc(F)c23)CC1.C=S(N)(=O)N1CCC(c2c[nH]c3ccccc23)CC1.CCN(CC)S(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1.O=S(=O)(N1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1
• InChI: InChI=1S/C17H23N3O2S.C17H25N3O2S.C15H18F2N2OS.C15H16F2N2OS.C14H19N3OS/c21-23(22,19-9-3-4-10-19)20-11-7-14(8-12-20)16-13-18-17-6-2-1-5-15(16)17;1-3-19(4-2)23(21,22)20-11-9-14(10-12-20)16-13-18-17-8-6-5-7-15(16)17;2*1-21(2,20)19-5-3-10(4-6-19)12-9-18-14-8-11(16)7-13(17)15(12)14;1-19(15,18)17-8-6-11(7-9-17)13-10-16-14-5-3-2-4-12(13)14/h1-2,5-6,13-14,18H,3-4,7-12H2;5-8,13-14,18H,3-4,9-12H2,1-2H3;7-10,18H,1,3-6H2,2H3;3,7-9,18H,1,4-6H2,2H3;2-5,10-11,16H,1,6-9H2,(H2,15,18)
• InChIKey: LPRCFUQCZRVJCO-UHFFFAOYSA-N
• XLogP: 13.16
• TPSA: 247.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1569.08
LogP ≤ 5	13.16
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(amino-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole?

The IUPAC name of 3-[1-(amino-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole (CID 159420205) is 3-[1-(amino-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole.

What is the SMILES notation for 3-[1-(amino-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole?

The canonical SMILES for 3-[1-(amino-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole is C=S(C)(=O)N1CC=C(c2c[nH]c3cc(F)cc(F)c23)CC1.C=S(C)(=O)N1CCC(c2c[nH]c3cc(F)cc(F)c23)CC1.C=S(N)(=O)N1CCC(c2c[nH]c3ccccc23)CC1.CCN(CC)S(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1.O=S(=O)(N1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1.

What is the InChIKey of 3-[1-(amino-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole?

The InChIKey is LPRCFUQCZRVJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S.C17H25N3O2S.C15H18F2N2OS.C15H16F2N2OS.C14H19N3OS/c21-23(22,19-9-3-4-10-19)20-11-7-14(8-12-20)16-13-18-17-6-2-1-5-15(16)17;1-3-19(4-2)23(21,22)20-11-9-14(10-12-20)16-13-18-17-8-6-5-7-15(16)17;2*1-21(2,20)19-5-3-10(4-6-19)12-9-18-14-8-11(16)7-13(17)15(12)14;1-19(15,18)17-8-6-11(7-9-17)13-10-16-14-5-3-2-4-12(13)14/h1-2,5-6,13-14,18H,3-4,7-12H2;5-8,13-14,18H,3-4,9-12H2,1-2H3;7-10,18H,1,3-6H2,2H3;3,7-9,18H,1,4-6H2,2H3;2-5,10-11,16H,1,6-9H2,(H2,15,18).

What are the key properties of 3-[1-(amino-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole?

3-[1-(amino-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole has a molecular weight of 1569.08 g/mol, XLogP of 13.16, 14 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(amino-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-1H-indole;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-sulfonamide;[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 159420205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).