N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dihydro-2-benzofuran-4-yl)ethyl]-2-methylpropane-2-sulfinamide

C20H35NO3SSi — CID 140960868

About N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dihydro-2-benzofuran-4-yl)ethyl]-2-methylpropane-2-sulfinamide

N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dihydro-2-benzofuran-4-yl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 140960868) has the molecular formula C20H35NO3SSi and a molecular weight of 397.66 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dihydro-2-benzofuran-4-yl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dihydro-2-benzofuran-4-yl)ethyl]-2-methylpropane-2-sulfinamide
• PubChem CID: 140960868
• Molecular Formula: C20H35NO3SSi
• Molecular Weight: 397.66 g/mol
• Exact Mass: 397.21
• IUPAC Name: N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dihydro-2-benzofuran-4-yl)ethyl]-2-methylpropane-2-sulfinamide
• SMILES: CC(C)(C)S(=O)NC(CO[Si](C)(C)C(C)(C)C)c1cccc2c1COC2
• InChI: InChI=1S/C20H35NO3SSi/c1-19(2,3)25(22)21-18(14-24-26(7,8)20(4,5)6)16-11-9-10-15-12-23-13-17(15)16/h9-11,18,21H,12-14H2,1-8H3
• InChIKey: VZEMBDHNHAWFJM-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 47.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.66
LogP ≤ 5	4.83
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 N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dihydro-2-benzofuran-4-yl)ethyl]-2-methylpropane-2-sulfinamide?

The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dihydro-2-benzofuran-4-yl)ethyl]-2-methylpropane-2-sulfinamide (CID 140960868) is N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dihydro-2-benzofuran-4-yl)ethyl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dihydro-2-benzofuran-4-yl)ethyl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dihydro-2-benzofuran-4-yl)ethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC(CO[Si](C)(C)C(C)(C)C)c1cccc2c1COC2.

What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dihydro-2-benzofuran-4-yl)ethyl]-2-methylpropane-2-sulfinamide?

The InChIKey is VZEMBDHNHAWFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3SSi/c1-19(2,3)25(22)21-18(14-24-26(7,8)20(4,5)6)16-11-9-10-15-12-23-13-17(15)16/h9-11,18,21H,12-14H2,1-8H3.

What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dihydro-2-benzofuran-4-yl)ethyl]-2-methylpropane-2-sulfinamide?

N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dihydro-2-benzofuran-4-yl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 397.66 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dihydro-2-benzofuran-4-yl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 140960868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).