(R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide

C23H26BrN5OS — CID 152808917

About (R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide

(R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide (PubChem CID 152808917) has the molecular formula C23H26BrN5OS and a molecular weight of 500.47 g/mol. Its IUPAC name is (R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide
• PubChem CID: 152808917
• Molecular Formula: C23H26BrN5OS
• Molecular Weight: 500.47 g/mol
• Exact Mass: 499.10
• IUPAC Name: (R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide
• SMILES: CC(C)(C)[S@@](=O)N=C1c2ccccc2CC12CCN(c1ncc(Br)c3nccn13)CC2
• InChI: InChI=1S/C23H26BrN5OS/c1-22(2,3)31(30)27-19-17-7-5-4-6-16(17)14-23(19)8-11-28(12-9-23)21-26-15-18(24)20-25-10-13-29(20)21/h4-7,10,13,15H,8-9,11-12,14H2,1-3H3/t31-/m1/s1
• InChIKey: SQDNCEGIBDICIK-WJOKGBTCSA-N
• XLogP: 4.59
• TPSA: 62.86 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.47
LogP ≤ 5	4.59
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-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide (CID 152808917) is (R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for (R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide?

The canonical SMILES for (R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N=C1c2ccccc2CC12CCN(c1ncc(Br)c3nccn13)CC2.

What is the InChIKey of (R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide?

The InChIKey is SQDNCEGIBDICIK-WJOKGBTCSA-N. The full InChI is InChI=1S/C23H26BrN5OS/c1-22(2,3)31(30)27-19-17-7-5-4-6-16(17)14-23(19)8-11-28(12-9-23)21-26-15-18(24)20-25-10-13-29(20)21/h4-7,10,13,15H,8-9,11-12,14H2,1-3H3/t31-/m1/s1.

What are the key properties of (R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide?

(R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 500.47 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 152808917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).