(S)-N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-3-pyridin-2-ylpentan-2-yl]-2-methylpropane-2-sulfinamide

C20H38N2O2SSi — CID 140879441

About (S)-N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-3-pyridin-2-ylpentan-2-yl]-2-methylpropane-2-sulfinamide

(S)-N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-3-pyridin-2-ylpentan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 140879441) has the molecular formula C20H38N2O2SSi and a molecular weight of 398.69 g/mol. Its IUPAC name is (S)-N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-3-pyridin-2-ylpentan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (S)-N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-3-pyridin-2-ylpentan-2-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 140879441
• Molecular Formula: C20H38N2O2SSi
• Molecular Weight: 398.69 g/mol
• Exact Mass: 398.24
• IUPAC Name: (S)-N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-3-pyridin-2-ylpentan-2-yl]-2-methylpropane-2-sulfinamide
• SMILES: C[C@@H](N[S@@](=O)C(C)(C)C)C(CCO[Si](C)(C)C(C)(C)C)c1ccccn1
• InChI: InChI=1S/C20H38N2O2SSi/c1-16(22-25(23)19(2,3)4)17(18-12-10-11-14-21-18)13-15-24-26(8,9)20(5,6)7/h10-12,14,16-17,22H,13,15H2,1-9H3/t16-,17?,25+/m1/s1
• InChIKey: RTLVUAVMLYVWFE-WNERBTADSA-N
• XLogP: 5.02
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.69
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-3-pyridin-2-ylpentan-2-yl]-2-methylpropane-2-sulfinamide?

The IUPAC name of (S)-N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-3-pyridin-2-ylpentan-2-yl]-2-methylpropane-2-sulfinamide (CID 140879441) is (S)-N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-3-pyridin-2-ylpentan-2-yl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for (S)-N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-3-pyridin-2-ylpentan-2-yl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for (S)-N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-3-pyridin-2-ylpentan-2-yl]-2-methylpropane-2-sulfinamide is C[C@@H](N[S@@](=O)C(C)(C)C)C(CCO[Si](C)(C)C(C)(C)C)c1ccccn1.

What is the InChIKey of (S)-N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-3-pyridin-2-ylpentan-2-yl]-2-methylpropane-2-sulfinamide?

The InChIKey is RTLVUAVMLYVWFE-WNERBTADSA-N. The full InChI is InChI=1S/C20H38N2O2SSi/c1-16(22-25(23)19(2,3)4)17(18-12-10-11-14-21-18)13-15-24-26(8,9)20(5,6)7/h10-12,14,16-17,22H,13,15H2,1-9H3/t16-,17?,25+/m1/s1.

What are the key properties of (S)-N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-3-pyridin-2-ylpentan-2-yl]-2-methylpropane-2-sulfinamide?

(S)-N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-3-pyridin-2-ylpentan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 398.69 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (S)-N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-3-pyridin-2-ylpentan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 140879441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).