N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-ylethyl]-2-methylpropane-2-sulfinamide

C22H35NO2SSi — CID 102250228

About N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-ylethyl]-2-methylpropane-2-sulfinamide

N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-ylethyl]-2-methylpropane-2-sulfinamide (PubChem CID 102250228) has the molecular formula C22H35NO2SSi and a molecular weight of 405.68 g/mol. Its IUPAC name is N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-ylethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-ylethyl]-2-methylpropane-2-sulfinamide
• PubChem CID: 102250228
• Molecular Formula: C22H35NO2SSi
• Molecular Weight: 405.68 g/mol
• Exact Mass: 405.22
• IUPAC Name: N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-ylethyl]-2-methylpropane-2-sulfinamide
• SMILES: CC(C)(C)S(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)c1cccc2ccccc12
• InChI: InChI=1S/C22H35NO2SSi/c1-21(2,3)26(24)23-20(16-25-27(7,8)22(4,5)6)19-15-11-13-17-12-9-10-14-18(17)19/h9-15,20,23H,16H2,1-8H3/t20-,26?/m0/s1
• InChIKey: JVLHODKXKLLRHR-DQUNLGLBSA-N
• XLogP: 5.95
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.68
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-ylethyl]-2-methylpropane-2-sulfinamide?

The IUPAC name of N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-ylethyl]-2-methylpropane-2-sulfinamide (CID 102250228) is N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-ylethyl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-ylethyl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-ylethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)c1cccc2ccccc12.

What is the InChIKey of N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-ylethyl]-2-methylpropane-2-sulfinamide?

The InChIKey is JVLHODKXKLLRHR-DQUNLGLBSA-N. The full InChI is InChI=1S/C22H35NO2SSi/c1-21(2,3)26(24)23-20(16-25-27(7,8)22(4,5)6)19-15-11-13-17-12-9-10-14-18(17)19/h9-15,20,23H,16H2,1-8H3/t20-,26?/m0/s1.

What are the key properties of N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-ylethyl]-2-methylpropane-2-sulfinamide?

N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-ylethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 405.68 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-ylethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 102250228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).