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

C29H29Cl2N5OS2 — CID 146482527

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

(NZ,R)-N-[1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide (PubChem CID 146482527) has the molecular formula C29H29Cl2N5OS2 and a molecular weight of 598.63 g/mol. Its IUPAC name is (NZ,R)-N-[1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (NZ,R)-N-[1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide
• PubChem CID: 146482527
• Molecular Formula: C29H29Cl2N5OS2
• Molecular Weight: 598.63 g/mol
• Exact Mass: 597.12
• IUPAC Name: (NZ,R)-N-[1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[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=C1\c2ccccc2CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
• InChI: InChI=1S/C29H29Cl2N5OS2/c1-28(2,3)39(37)34-25-20-8-5-4-7-19(20)17-29(25)11-14-35(15-12-29)27-33-18-23(26-32-13-16-36(26)27)38-22-10-6-9-21(30)24(22)31/h4-10,13,16,18H,11-12,14-15,17H2,1-3H3/b34-25+/t39-/m1/s1
• InChIKey: BYHRQPUVBQPNEY-ORKNHHQGSA-N
• XLogP: 7.28
• TPSA: 62.86 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.63
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (NZ,R)-N-[1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide (CID 146482527) is (NZ,R)-N-[1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide.

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

The canonical SMILES for (NZ,R)-N-[1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[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=C1\c2ccccc2CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.

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

The InChIKey is BYHRQPUVBQPNEY-ORKNHHQGSA-N. The full InChI is InChI=1S/C29H29Cl2N5OS2/c1-28(2,3)39(37)34-25-20-8-5-4-7-19(20)17-29(25)11-14-35(15-12-29)27-33-18-23(26-32-13-16-36(26)27)38-22-10-6-9-21(30)24(22)31/h4-10,13,16,18H,11-12,14-15,17H2,1-3H3/b34-25+/t39-/m1/s1.

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

(NZ,R)-N-[1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 598.63 g/mol, XLogP of 7.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (NZ,R)-N-[1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 146482527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).