(R)-2-methyl-N-[(1R)-1-[3-(oxan-2-yloxy)propyl-diphenylsilyl]butyl]propane-2-sulfinamide

C28H43NO3SSi — CID 25112546

IUPAC(R)-2-methyl-N-[(1R)-1-[3-(oxan-2-yloxy)propyl-diphenylsilyl]butyl]propane-2-sulfinamide
SMILESCCC[C@H](N[S@](=O)C(C)(C)C)[Si](CCCOC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H43NO3SSi/c1-5-15-26(29-33(30)28(2,3)4)34(24-16-8-6-9-17-24,25-18-10-7-11-19-25)23-14-22-32-27-20-12-13-21-31-27/h6-11,16-19,26-27,29H,5,12-15,20-23H2,1-4H3/t26-,27?,33-/m1/s1
InChIKeyZHORPWKUMXADPJ-XQKSBISZSA-N
MW501.81 g/mol
LogP4.94
Rot. Bonds12

About (R)-2-methyl-N-[(1R)-1-[3-(oxan-2-yloxy)propyl-diphenylsilyl]butyl]propane-2-sulfinamide

(R)-2-methyl-N-[(1R)-1-[3-(oxan-2-yloxy)propyl-diphenylsilyl]butyl]propane-2-sulfinamide (PubChem CID 25112546) has the molecular formula C28H43NO3SSi and a molecular weight of 501.81 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1R)-1-[3-(oxan-2-yloxy)propyl-diphenylsilyl]butyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1R)-1-[3-(oxan-2-yloxy)propyl-diphenylsilyl]butyl]propane-2-sulfinamide
PubChem CID25112546
Molecular FormulaC28H43NO3SSi
Molecular Weight501.81 g/mol
Exact Mass501.27
IUPAC Name(R)-2-methyl-N-[(1R)-1-[3-(oxan-2-yloxy)propyl-diphenylsilyl]butyl]propane-2-sulfinamide
SMILESCCC[C@H](N[S@](=O)C(C)(C)C)[Si](CCCOC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H43NO3SSi/c1-5-15-26(29-33(30)28(2,3)4)34(24-16-8-6-9-17-24,25-18-10-7-11-19-25)23-14-22-32-27-20-12-13-21-31-27/h6-11,16-19,26-27,29H,5,12-15,20-23H2,1-4H3/t26-,27?,33-/m1/s1
InChIKeyZHORPWKUMXADPJ-XQKSBISZSA-N
XLogP4.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.81
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (R)-2-methyl-N-[(1R)-1-[3-(oxan-2-yloxy)propyl-diphenylsilyl]butyl]propane-2-sulfinamide with MolForge

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Related Compounds

tert-butyl-[(Z)-1-(oxan-2-yloxy)-8-trimethylsilyloct-5-en-4-yl]oxy-diphenylsilane
CID 10602504
6-(oxan-2-yloxy)-2-phenylselanylhexanal
CID 15725666
5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol
CID 67866640
tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane
CID 145367352
2-[4-(oxan-2-yloxy)butyl]decanoic acid
CID 177221724
2-octacosoxyoxane
CID 11214102
8-(oxan-2-yloxy)octyl benzoate
CID 11551737
(3R,4S)-3-(benzenesulfinyl)-8-(oxan-2-yloxy)-1-phenyloct-1-en-4-ol
CID 56996319
CID 10882542
CID 10882542
2-[(3S)-3-methyl-8-phenylmethoxyoctoxy]oxane
CID 11977298
2-(3-trityloxypropoxy)oxane
CID 101461782
2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane
CID 165127390

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1R)-1-[3-(oxan-2-yloxy)propyl-diphenylsilyl]butyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1R)-1-[3-(oxan-2-yloxy)propyl-diphenylsilyl]butyl]propane-2-sulfinamide (CID 25112546) is (R)-2-methyl-N-[(1R)-1-[3-(oxan-2-yloxy)propyl-diphenylsilyl]butyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1R)-1-[3-(oxan-2-yloxy)propyl-diphenylsilyl]butyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1R)-1-[3-(oxan-2-yloxy)propyl-diphenylsilyl]butyl]propane-2-sulfinamide is CCC[C@H](N[S@](=O)C(C)(C)C)[Si](CCCOC1CCCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (R)-2-methyl-N-[(1R)-1-[3-(oxan-2-yloxy)propyl-diphenylsilyl]butyl]propane-2-sulfinamide?
The InChIKey is ZHORPWKUMXADPJ-XQKSBISZSA-N. The full InChI is InChI=1S/C28H43NO3SSi/c1-5-15-26(29-33(30)28(2,3)4)34(24-16-8-6-9-17-24,25-18-10-7-11-19-25)23-14-22-32-27-20-12-13-21-31-27/h6-11,16-19,26-27,29H,5,12-15,20-23H2,1-4H3/t26-,27?,33-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(1R)-1-[3-(oxan-2-yloxy)propyl-diphenylsilyl]butyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1R)-1-[3-(oxan-2-yloxy)propyl-diphenylsilyl]butyl]propane-2-sulfinamide has a molecular weight of 501.81 g/mol, XLogP of 4.94, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1R)-1-[3-(oxan-2-yloxy)propyl-diphenylsilyl]butyl]propane-2-sulfinamide is sourced from PubChem (CID 25112546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).