methyl 2-[N-[2,3-dimethylbutan-2-yl(dimethyl)silyl]-S-phenylsulfonimidoyl]acetate

C17H29NO3SSi — CID 134918602

IUPACmethyl 2-[N-[2,3-dimethylbutan-2-yl(dimethyl)silyl]-S-phenylsulfonimidoyl]acetate
SMILESCOC(=O)CS(=O)(=N[Si](C)(C)C(C)(C)C(C)C)c1ccccc1
InChIInChI=1S/C17H29NO3SSi/c1-14(2)17(3,4)23(6,7)18-22(20,13-16(19)21-5)15-11-9-8-10-12-15/h8-12,14H,13H2,1-7H3
InChIKeyCYOCYMFBBYQKAL-UHFFFAOYSA-N
MW355.58 g/mol
LogP4.33
Rot. Bonds6

About methyl 2-[N-[2,3-dimethylbutan-2-yl(dimethyl)silyl]-S-phenylsulfonimidoyl]acetate

methyl 2-[N-[2,3-dimethylbutan-2-yl(dimethyl)silyl]-S-phenylsulfonimidoyl]acetate (PubChem CID 134918602) has the molecular formula C17H29NO3SSi and a molecular weight of 355.58 g/mol. Its IUPAC name is methyl 2-[N-[2,3-dimethylbutan-2-yl(dimethyl)silyl]-S-phenylsulfonimidoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[N-[2,3-dimethylbutan-2-yl(dimethyl)silyl]-S-phenylsulfonimidoyl]acetate
PubChem CID134918602
Molecular FormulaC17H29NO3SSi
Molecular Weight355.58 g/mol
Exact Mass355.16
IUPAC Namemethyl 2-[N-[2,3-dimethylbutan-2-yl(dimethyl)silyl]-S-phenylsulfonimidoyl]acetate
SMILESCOC(=O)CS(=O)(=N[Si](C)(C)C(C)(C)C(C)C)c1ccccc1
InChIInChI=1S/C17H29NO3SSi/c1-14(2)17(3,4)23(6,7)18-22(20,13-16(19)21-5)15-11-9-8-10-12-15/h8-12,14H,13H2,1-7H3
InChIKeyCYOCYMFBBYQKAL-UHFFFAOYSA-N
XLogP4.33
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.58
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dimethylbutan-2-yl-dimethyl-[(methyl-oxo-phenyl-lambda6-sulfanylidene)amino]silane
CID 134870387
Methyl 3-(2-trimethylsilylphenyl)sulfanylpropanoate
CID 135006100
Methyl 3-(benzenesulfinyl)-2-methylbutanoate
CID 14508381
(S)-Ethyl [S-phenyl-N-(trimethylsilyl)sulfonimidoyl]acetate
CID 57657878
ethyl 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetate
CID 76585238
2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetic acid
CID 87165379
2-Trimethylsilylethyl 2-(benzenesulfonyl)acetate
CID 167363207
Ethyl 2-[2-(1,1-dimethyl-1-silaethyl)phenylthio]acetate
CID 4384353
methyl (2S,3S)-2-(benzenesulfinylmethyl)-3-[dimethyl(phenyl)silyl]butanoate
CID 9976718
methyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-(phenylsulfanylmethyl)butanoate
CID 10247851
methyl (2S,3S)-3-[dimethyl(phenyl)silyl]-2-(phenylsulfanylmethyl)butanoate
CID 10451056
methyl (2R,3S)-2-(benzenesulfinylmethyl)-3-[dimethyl(phenyl)silyl]butanoate
CID 10474568

Frequently Asked Questions

What is the IUPAC name of methyl 2-[N-[2,3-dimethylbutan-2-yl(dimethyl)silyl]-S-phenylsulfonimidoyl]acetate?
The IUPAC name of methyl 2-[N-[2,3-dimethylbutan-2-yl(dimethyl)silyl]-S-phenylsulfonimidoyl]acetate (CID 134918602) is methyl 2-[N-[2,3-dimethylbutan-2-yl(dimethyl)silyl]-S-phenylsulfonimidoyl]acetate.
What is the SMILES notation for methyl 2-[N-[2,3-dimethylbutan-2-yl(dimethyl)silyl]-S-phenylsulfonimidoyl]acetate?
The canonical SMILES for methyl 2-[N-[2,3-dimethylbutan-2-yl(dimethyl)silyl]-S-phenylsulfonimidoyl]acetate is COC(=O)CS(=O)(=N[Si](C)(C)C(C)(C)C(C)C)c1ccccc1.
What is the InChIKey of methyl 2-[N-[2,3-dimethylbutan-2-yl(dimethyl)silyl]-S-phenylsulfonimidoyl]acetate?
The InChIKey is CYOCYMFBBYQKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3SSi/c1-14(2)17(3,4)23(6,7)18-22(20,13-16(19)21-5)15-11-9-8-10-12-15/h8-12,14H,13H2,1-7H3.
What are the key properties of methyl 2-[N-[2,3-dimethylbutan-2-yl(dimethyl)silyl]-S-phenylsulfonimidoyl]acetate?
methyl 2-[N-[2,3-dimethylbutan-2-yl(dimethyl)silyl]-S-phenylsulfonimidoyl]acetate has a molecular weight of 355.58 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[N-[2,3-dimethylbutan-2-yl(dimethyl)silyl]-S-phenylsulfonimidoyl]acetate is sourced from PubChem (CID 134918602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).