(R)-2-methyl-N-[1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]propane-2-sulfinamide

C23H29N5OS2 — CID 146482569

About (R)-2-methyl-N-[1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]propane-2-sulfinamide

(R)-2-methyl-N-[1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]propane-2-sulfinamide (PubChem CID 146482569) has the molecular formula C23H29N5OS2 and a molecular weight of 455.65 g/mol. Its IUPAC name is (R)-2-methyl-N-[1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]propane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-2-methyl-N-[1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]propane-2-sulfinamide
• PubChem CID: 146482569
• Molecular Formula: C23H29N5OS2
• Molecular Weight: 455.65 g/mol
• Exact Mass: 455.18
• IUPAC Name: (R)-2-methyl-N-[1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]propane-2-sulfinamide
• SMILES: CC(C)(C)[S@@](=O)NC1CN(c2ncc(S)c3nccn23)CCC12Cc1ccccc1C2
• InChI: InChI=1S/C23H29N5OS2/c1-22(2,3)31(29)26-19-15-27(21-25-14-18(30)20-24-9-11-28(20)21)10-8-23(19)12-16-6-4-5-7-17(16)13-23/h4-7,9,11,14,19,26,30H,8,10,12-13,15H2,1-3H3/t19?,31-/m1/s1
• InChIKey: GSTMGZCYOOGCRU-VVRJCVFOSA-N
• XLogP: 3.43
• TPSA: 62.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.65
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]propane-2-sulfinamide?

The IUPAC name of (R)-2-methyl-N-[1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]propane-2-sulfinamide (CID 146482569) is (R)-2-methyl-N-[1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]propane-2-sulfinamide.

What is the SMILES notation for (R)-2-methyl-N-[1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]propane-2-sulfinamide?

The canonical SMILES for (R)-2-methyl-N-[1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]propane-2-sulfinamide is CC(C)(C)[S@@](=O)NC1CN(c2ncc(S)c3nccn23)CCC12Cc1ccccc1C2.

What is the InChIKey of (R)-2-methyl-N-[1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]propane-2-sulfinamide?

The InChIKey is GSTMGZCYOOGCRU-VVRJCVFOSA-N. The full InChI is InChI=1S/C23H29N5OS2/c1-22(2,3)31(29)26-19-15-27(21-25-14-18(30)20-24-9-11-28(20)21)10-8-23(19)12-16-6-4-5-7-17(16)13-23/h4-7,9,11,14,19,26,30H,8,10,12-13,15H2,1-3H3/t19?,31-/m1/s1.

What are the key properties of (R)-2-methyl-N-[1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]propane-2-sulfinamide?

(R)-2-methyl-N-[1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]propane-2-sulfinamide has a molecular weight of 455.65 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-2-methyl-N-[1'-(8-sulfanylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]propane-2-sulfinamide is sourced from PubChem (CID 146482569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).