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;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-pyrrolidin-1-yl-λ6-sulfane

C80H102F4N12O6S5 — CID 159720862

About 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;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-pyrrolidin-1-yl-λ6-sulfane

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;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-pyrrolidin-1-yl-λ6-sulfane (PubChem CID 159720862) has the molecular formula C80H102F4N12O6S5 and a molecular weight of 1564.10 g/mol. Its IUPAC name is 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;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-pyrrolidin-1-yl-λ6-sulfane.

Molecular Properties

• Compound Name: 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;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-pyrrolidin-1-yl-λ6-sulfane
• PubChem CID: 159720862
• Molecular Formula: C80H102F4N12O6S5
• Molecular Weight: 1564.10 g/mol
• Exact Mass: 1562.66
• IUPAC Name: 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;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-pyrrolidin-1-yl-λ6-sulfane
• SMILES: C=S(=O)(N1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1.C=S(C)(=O)N1CC=C(c2c[nH]c3cc(F)cc(F)c23)CC1.C=S(C)(=O)N1CC=C(c2c[nH]c3ccccc23)CC1.C=S(C)(=O)N1CCC(c2c[nH]c3cc(F)cc(F)c23)CC1.CCN(CC)S(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1
• InChI: InChI=1S/C18H25N3OS.C17H25N3O2S.C15H18F2N2OS.C15H16F2N2OS.C15H18N2OS/c1-23(22,20-10-4-5-11-20)21-12-8-15(9-13-21)17-14-19-18-7-3-2-6-16(17)18;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(2,18)17-9-7-12(8-10-17)14-11-16-15-6-4-3-5-13(14)15/h2-3,6-7,14-15,19H,1,4-5,8-13H2;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;3-7,11,16H,1,8-10H2,2H3
• InChIKey: NAADHJJURMBXAR-UHFFFAOYSA-N
• XLogP: 14.12
• TPSA: 204.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1564.10
LogP ≤ 5	14.12
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 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;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-pyrrolidin-1-yl-λ6-sulfane?

The IUPAC name of 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;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-pyrrolidin-1-yl-λ6-sulfane (CID 159720862) is 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;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-pyrrolidin-1-yl-λ6-sulfane.

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

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

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

The InChIKey is NAADHJJURMBXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS.C17H25N3O2S.C15H18F2N2OS.C15H16F2N2OS.C15H18N2OS/c1-23(22,20-10-4-5-11-20)21-12-8-15(9-13-21)17-14-19-18-7-3-2-6-16(17)18;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(2,18)17-9-7-12(8-10-17)14-11-16-15-6-4-3-5-13(14)15/h2-3,6-7,14-15,19H,1,4-5,8-13H2;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;3-7,11,16H,1,8-10H2,2H3.

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

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;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-pyrrolidin-1-yl-λ6-sulfane has a molecular weight of 1564.10 g/mol, XLogP of 14.12, 14 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-pyrrolidin-1-yl-λ6-sulfane is sourced from PubChem (CID 159720862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).