(R)-N-[(1S)-1'-(6-chloro-5-isocyanopyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

C22H26ClN5OS — CID 162501224

About (R)-N-[(1S)-1'-(6-chloro-5-isocyanopyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-1'-(6-chloro-5-isocyanopyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 162501224) has the molecular formula C22H26ClN5OS and a molecular weight of 444.00 g/mol. Its IUPAC name is (R)-N-[(1S)-1'-(6-chloro-5-isocyanopyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-N-[(1S)-1'-(6-chloro-5-isocyanopyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 162501224
• Molecular Formula: C22H26ClN5OS
• Molecular Weight: 444.00 g/mol
• Exact Mass: 443.15
• IUPAC Name: (R)-N-[(1S)-1'-(6-chloro-5-isocyanopyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
• SMILES: [C-]#[N+]c1ncc(N2CCC3(CC2)Cc2ccccc2[C@H]3N[S@](=O)C(C)(C)C)nc1Cl
• InChI: InChI=1S/C22H26ClN5OS/c1-21(2,3)30(29)27-18-16-8-6-5-7-15(16)13-22(18)9-11-28(12-10-22)17-14-25-20(24-4)19(23)26-17/h5-8,14,18,27H,9-13H2,1-3H3/t18-,30-/m1/s1
• InChIKey: PLVDTKAULPEEPU-VPTFNQTCSA-N
• XLogP: 4.62
• TPSA: 62.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.00
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1'-(6-chloro-5-isocyanopyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[(1S)-1'-(6-chloro-5-isocyanopyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (CID 162501224) is (R)-N-[(1S)-1'-(6-chloro-5-isocyanopyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for (R)-N-[(1S)-1'-(6-chloro-5-isocyanopyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for (R)-N-[(1S)-1'-(6-chloro-5-isocyanopyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is [C-]#[N+]c1ncc(N2CCC3(CC2)Cc2ccccc2[C@H]3N[S@](=O)C(C)(C)C)nc1Cl.

What is the InChIKey of (R)-N-[(1S)-1'-(6-chloro-5-isocyanopyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The InChIKey is PLVDTKAULPEEPU-VPTFNQTCSA-N. The full InChI is InChI=1S/C22H26ClN5OS/c1-21(2,3)30(29)27-18-16-8-6-5-7-15(16)13-22(18)9-11-28(12-10-22)17-14-25-20(24-4)19(23)26-17/h5-8,14,18,27H,9-13H2,1-3H3/t18-,30-/m1/s1.

What are the key properties of (R)-N-[(1S)-1'-(6-chloro-5-isocyanopyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

(R)-N-[(1S)-1'-(6-chloro-5-isocyanopyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 444.00 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-N-[(1S)-1'-(6-chloro-5-isocyanopyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 162501224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).