(R)-N-[(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide

C28H30F2N4O2S — CID 87186358

About (R)-N-[(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide

(R)-N-[(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 87186358) has the molecular formula C28H30F2N4O2S and a molecular weight of 524.64 g/mol. Its IUPAC name is (R)-N-[(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-N-[(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide
• PubChem CID: 87186358
• Molecular Formula: C28H30F2N4O2S
• Molecular Weight: 524.64 g/mol
• Exact Mass: 524.21
• IUPAC Name: (R)-N-[(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide
• SMILES: CC(C)(C)[S@@](=O)N=C(c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2ccncc23)cn1
• InChI: InChI=1S/C28H30F2N4O2S/c1-27(2,3)37(35)33-26(20-5-6-23(29)24(30)14-20)25-7-4-19(15-32-25)17-34-12-9-28(10-13-34)22-16-31-11-8-21(22)18-36-28/h4-8,11,14-16H,9-10,12-13,17-18H2,1-3H3/t37-/m1/s1
• InChIKey: IHYFRQNAWIMUIU-DIPNUNPCSA-N
• XLogP: 5.08
• TPSA: 67.68 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.64
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide (CID 87186358) is (R)-N-[(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for (R)-N-[(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide?

The canonical SMILES for (R)-N-[(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N=C(c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2ccncc23)cn1.

What is the InChIKey of (R)-N-[(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide?

The InChIKey is IHYFRQNAWIMUIU-DIPNUNPCSA-N. The full InChI is InChI=1S/C28H30F2N4O2S/c1-27(2,3)37(35)33-26(20-5-6-23(29)24(30)14-20)25-7-4-19(15-32-25)17-34-12-9-28(10-13-34)22-16-31-11-8-21(22)18-36-28/h4-8,11,14-16H,9-10,12-13,17-18H2,1-3H3/t37-/m1/s1.

What are the key properties of (R)-N-[(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide?

(R)-N-[(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 524.64 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-N-[(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 87186358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).