(R)-N-[(1R,2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohexyl]-2-methylpropane-2-sulfinamide

C22H45NO2SSi — CID 134845804

IUPAC(R)-N-[(1R,2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohexyl]-2-methylpropane-2-sulfinamide
SMILESC=C[C@]1(N[S@](=O)C(C)(C)C)CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCCC
InChIInChI=1S/C22H45NO2SSi/c1-11-13-15-18-19(25-27(9,10)21(6,7)8)16-14-17-22(18,12-2)23-26(24)20(3,4)5/h12,18-19,23H,2,11,13-17H2,1,3-10H3/t18-,19+,22+,26-/m1/s1
InChIKeyUNLFJRGIAIOGPR-BFFCPOFVSA-N
MW415.76 g/mol
LogP6.34
Rot. Bonds8

About (R)-N-[(1R,2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohexyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R,2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohexyl]-2-methylpropane-2-sulfinamide (PubChem CID 134845804) has the molecular formula C22H45NO2SSi and a molecular weight of 415.76 g/mol. Its IUPAC name is (R)-N-[(1R,2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohexyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R,2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohexyl]-2-methylpropane-2-sulfinamide
PubChem CID134845804
Molecular FormulaC22H45NO2SSi
Molecular Weight415.76 g/mol
Exact Mass415.29
IUPAC Name(R)-N-[(1R,2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohexyl]-2-methylpropane-2-sulfinamide
SMILESC=C[C@]1(N[S@](=O)C(C)(C)C)CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCCC
InChIInChI=1S/C22H45NO2SSi/c1-11-13-15-18-19(25-27(9,10)21(6,7)8)16-14-17-22(18,12-2)23-26(24)20(3,4)5/h12,18-19,23H,2,11,13-17H2,1,3-10H3/t18-,19+,22+,26-/m1/s1
InChIKeyUNLFJRGIAIOGPR-BFFCPOFVSA-N
XLogP6.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.76
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R,2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohexyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R,2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohexyl]-2-methylpropane-2-sulfinamide (CID 134845804) is (R)-N-[(1R,2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohexyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R,2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohexyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R,2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohexyl]-2-methylpropane-2-sulfinamide is C=C[C@]1(N[S@](=O)C(C)(C)C)CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCCC.
What is the InChIKey of (R)-N-[(1R,2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohexyl]-2-methylpropane-2-sulfinamide?
The InChIKey is UNLFJRGIAIOGPR-BFFCPOFVSA-N. The full InChI is InChI=1S/C22H45NO2SSi/c1-11-13-15-18-19(25-27(9,10)21(6,7)8)16-14-17-22(18,12-2)23-26(24)20(3,4)5/h12,18-19,23H,2,11,13-17H2,1,3-10H3/t18-,19+,22+,26-/m1/s1.
What are the key properties of (R)-N-[(1R,2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohexyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R,2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohexyl]-2-methylpropane-2-sulfinamide has a molecular weight of 415.76 g/mol, XLogP of 6.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R,2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohexyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134845804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).