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

C20H35NO3SSi — CID 140960868

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dihydro-2-benzofuran-4-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CO[Si](C)(C)C(C)(C)C)c1cccc2c1COC2
InChIInChI=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
InChIKeyVZEMBDHNHAWFJM-UHFFFAOYSA-N
MW397.66 g/mol
LogP4.83
Rot. Bonds6

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 NameN-[2-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dihydro-2-benzofuran-4-yl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID140960868
Molecular FormulaC20H35NO3SSi
Molecular Weight397.66 g/mol
Exact Mass397.21
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dihydro-2-benzofuran-4-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CO[Si](C)(C)C(C)(C)C)c1cccc2c1COC2
InChIInChI=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
InChIKeyVZEMBDHNHAWFJM-UHFFFAOYSA-N
XLogP4.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.66
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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).