bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide

C62H84F13N5O16S8 — CID 160567725

About bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide

bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 160567725) has the molecular formula C62H84F13N5O16S8 and a molecular weight of 1658.88 g/mol. Its IUPAC name is bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

• Compound Name: bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide
• PubChem CID: 160567725
• Molecular Formula: C62H84F13N5O16S8
• Molecular Weight: 1658.88 g/mol
• Exact Mass: 1657.35
• IUPAC Name: bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide
• SMILES: CS(=O)(=O)c1cccc2c(OC3CCCCC3)ccc([S+]3CCCCC3)c12.O=C(N1CCCCC1)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(=O)N1CCCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1)C(F)(F)F.c1cc([S+]2CCCC2)ccc1OCC1CCCCC1
• InChI: InChI=1S/C22H29O3S2.C17H25OS.C14H20F4N3O6S2.C9H10F9N2O6S3/c1-27(23,24)21-12-8-11-18-19(25-17-9-4-2-5-10-17)13-14-20(22(18)21)26-15-6-3-7-16-26;1-2-6-15(7-3-1)14-18-16-8-10-17(11-9-16)19-12-4-5-13-19;15-13(16,11(22)20-7-3-1-4-8-20)28(24,25)19-29(26,27)14(17,18)12(23)21-9-5-2-6-10-21;10-6(11,8(14,15)29(25,26)20-4-2-1-3-5-20)7(12,13)27(21,22)19-28(23,24)9(16,17)18/h8,11-14,17H,2-7,9-10,15-16H2,1H3;8-11,15H,1-7,12-14H2;1-10H2;1-5H2/q2*+1;2*-1
• InChIKey: RADKFRCRGZHJOO-UHFFFAOYSA-N
• XLogP: 12.94
• TPSA: 295.36 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 21
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1658.88
LogP ≤ 5	12.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide?

The IUPAC name of bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide (CID 160567725) is bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide.

What is the SMILES notation for bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide?

The canonical SMILES for bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide is CS(=O)(=O)c1cccc2c(OC3CCCCC3)ccc([S+]3CCCCC3)c12.O=C(N1CCCCC1)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(=O)N1CCCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1)C(F)(F)F.c1cc([S+]2CCCC2)ccc1OCC1CCCCC1.

What is the InChIKey of bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide?

The InChIKey is RADKFRCRGZHJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29O3S2.C17H25OS.C14H20F4N3O6S2.C9H10F9N2O6S3/c1-27(23,24)21-12-8-11-18-19(25-17-9-4-2-5-10-17)13-14-20(22(18)21)26-15-6-3-7-16-26;1-2-6-15(7-3-1)14-18-16-8-10-17(11-9-16)19-12-4-5-13-19;15-13(16,11(22)20-7-3-1-4-8-20)28(24,25)19-29(26,27)14(17,18)12(23)21-9-5-2-6-10-21;10-6(11,8(14,15)29(25,26)20-4-2-1-3-5-20)7(12,13)27(21,22)19-28(23,24)9(16,17)18/h8,11-14,17H,2-7,9-10,15-16H2,1H3;8-11,15H,1-7,12-14H2;1-10H2;1-5H2/q2*+1;2*-1.

What are the key properties of bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide?

bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 1658.88 g/mol, XLogP of 12.94, 21 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide;1-[4-(cyclohexylmethoxy)phenyl]thiolan-1-ium;1-(4-cyclohexyloxy-8-methylsulfonylnaphthalen-1-yl)thian-1-ium;(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 160567725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).