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

C22H35NO2SSi — CID 135006991

IUPAC(R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C22H35NO2SSi/c1-21(2,3)26(24)23-20(16-25-27(7,8)22(4,5)6)19-14-13-17-11-9-10-12-18(17)15-19/h9-15,20,23H,16H2,1-8H3/t20-,26+/m0/s1
InChIKeyREKYRHMSIKJBRJ-RXFWQSSRSA-N
MW405.68 g/mol
LogP5.95
Rot. Bonds6

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

(R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide (PubChem CID 135006991) has the molecular formula C22H35NO2SSi and a molecular weight of 405.68 g/mol. Its IUPAC name is (R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide
PubChem CID135006991
Molecular FormulaC22H35NO2SSi
Molecular Weight405.68 g/mol
Exact Mass405.22
IUPAC Name(R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C22H35NO2SSi/c1-21(2,3)26(24)23-20(16-25-27(7,8)22(4,5)6)19-14-13-17-11-9-10-12-18(17)15-19/h9-15,20,23H,16H2,1-8H3/t20-,26+/m0/s1
InChIKeyREKYRHMSIKJBRJ-RXFWQSSRSA-N
XLogP5.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.68
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide (CID 135006991) is (R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccc2ccccc2c1.
What is the InChIKey of (R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is REKYRHMSIKJBRJ-RXFWQSSRSA-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)19-14-13-17-11-9-10-12-18(17)15-19/h9-15,20,23H,16H2,1-8H3/t20-,26+/m0/s1.
What are the key properties of (R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-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 (R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135006991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).