N-[(2S,3S,4R)-4-(methoxymethoxy)-2-phenylmethoxy-6-trimethylsilylhex-5-yn-3-yl]-2-methylpropane-2-sulfinamide

C22H37NO4SSi — CID 102281928

IUPACN-[(2S,3S,4R)-4-(methoxymethoxy)-2-phenylmethoxy-6-trimethylsilylhex-5-yn-3-yl]-2-methylpropane-2-sulfinamide
SMILESCOCO[C@H](C#C[Si](C)(C)C)[C@@H](NS(=O)C(C)(C)C)[C@H](C)OCc1ccccc1
InChIInChI=1S/C22H37NO4SSi/c1-18(26-16-19-12-10-9-11-13-19)21(23-28(24)22(2,3)4)20(27-17-25-5)14-15-29(6,7)8/h9-13,18,20-21,23H,16-17H2,1-8H3/t18-,20+,21-,28?/m0/s1
InChIKeyZGAIVXBFLLMLMZ-ZFMUFRGESA-N
MW439.69 g/mol
LogP3.88
Rot. Bonds10

About N-[(2S,3S,4R)-4-(methoxymethoxy)-2-phenylmethoxy-6-trimethylsilylhex-5-yn-3-yl]-2-methylpropane-2-sulfinamide

N-[(2S,3S,4R)-4-(methoxymethoxy)-2-phenylmethoxy-6-trimethylsilylhex-5-yn-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 102281928) has the molecular formula C22H37NO4SSi and a molecular weight of 439.69 g/mol. Its IUPAC name is N-[(2S,3S,4R)-4-(methoxymethoxy)-2-phenylmethoxy-6-trimethylsilylhex-5-yn-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(2S,3S,4R)-4-(methoxymethoxy)-2-phenylmethoxy-6-trimethylsilylhex-5-yn-3-yl]-2-methylpropane-2-sulfinamide
PubChem CID102281928
Molecular FormulaC22H37NO4SSi
Molecular Weight439.69 g/mol
Exact Mass439.22
IUPAC NameN-[(2S,3S,4R)-4-(methoxymethoxy)-2-phenylmethoxy-6-trimethylsilylhex-5-yn-3-yl]-2-methylpropane-2-sulfinamide
SMILESCOCO[C@H](C#C[Si](C)(C)C)[C@@H](NS(=O)C(C)(C)C)[C@H](C)OCc1ccccc1
InChIInChI=1S/C22H37NO4SSi/c1-18(26-16-19-12-10-9-11-13-19)21(23-28(24)22(2,3)4)20(27-17-25-5)14-15-29(6,7)8/h9-13,18,20-21,23H,16-17H2,1-8H3/t18-,20+,21-,28?/m0/s1
InChIKeyZGAIVXBFLLMLMZ-ZFMUFRGESA-N
XLogP3.88
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.69
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(R)-N-[(3R,4R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5,6-bis(phenylmethoxy)-1-trimethylsilylhept-1-yn-4-yl]-2-methylpropane-2-sulfinamide
CID 56935062
[(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane
CID 10540448
(R)-2-methyl-N-[(2S,3S)-2-phenylmethoxypentan-3-yl]propane-2-sulfinamide
CID 11231808
(R)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide
CID 11348533
(S)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide
CID 11348534
(R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide
CID 46177997
methyl (3R,4S)-3-[[(R)-tert-butylsulfinyl]amino]-4-phenylmethoxypentanoate
CID 11427817
trimethyl-[(3S)-4,4,4-trifluoro-3-phenylmethoxybut-1-ynyl]silane
CID 11781130
(R)-2-methyl-N-[(1S)-1-phenyl-4-trimethylsilylbut-3-ynyl]propane-2-sulfinamide
CID 134943259
3-[(2R,3R)-2-methyl-3-[(1S)-1-phenylmethoxyethyl]-5-trimethylsilylpent-4-ynoyl]-1,3-oxazolidin-2-one
CID 10596397
(S)-N-[(1S,2S)-1-(3-ethoxy-5-fluorophenyl)-2-phenylmethoxypropyl]-2-methylpropane-2-sulfinamide
CID 152614443
N-[(1R)-3-chloro-1-phenylprop-2-ynyl]-2-methylpropane-2-sulfinamide
CID 122211942

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4R)-4-(methoxymethoxy)-2-phenylmethoxy-6-trimethylsilylhex-5-yn-3-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(2S,3S,4R)-4-(methoxymethoxy)-2-phenylmethoxy-6-trimethylsilylhex-5-yn-3-yl]-2-methylpropane-2-sulfinamide (CID 102281928) is N-[(2S,3S,4R)-4-(methoxymethoxy)-2-phenylmethoxy-6-trimethylsilylhex-5-yn-3-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(2S,3S,4R)-4-(methoxymethoxy)-2-phenylmethoxy-6-trimethylsilylhex-5-yn-3-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(2S,3S,4R)-4-(methoxymethoxy)-2-phenylmethoxy-6-trimethylsilylhex-5-yn-3-yl]-2-methylpropane-2-sulfinamide is COCO[C@H](C#C[Si](C)(C)C)[C@@H](NS(=O)C(C)(C)C)[C@H](C)OCc1ccccc1.
What is the InChIKey of N-[(2S,3S,4R)-4-(methoxymethoxy)-2-phenylmethoxy-6-trimethylsilylhex-5-yn-3-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is ZGAIVXBFLLMLMZ-ZFMUFRGESA-N. The full InChI is InChI=1S/C22H37NO4SSi/c1-18(26-16-19-12-10-9-11-13-19)21(23-28(24)22(2,3)4)20(27-17-25-5)14-15-29(6,7)8/h9-13,18,20-21,23H,16-17H2,1-8H3/t18-,20+,21-,28?/m0/s1.
What are the key properties of N-[(2S,3S,4R)-4-(methoxymethoxy)-2-phenylmethoxy-6-trimethylsilylhex-5-yn-3-yl]-2-methylpropane-2-sulfinamide?
N-[(2S,3S,4R)-4-(methoxymethoxy)-2-phenylmethoxy-6-trimethylsilylhex-5-yn-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 439.69 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,4R)-4-(methoxymethoxy)-2-phenylmethoxy-6-trimethylsilylhex-5-yn-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 102281928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).