methyl 6-(2-trimethylsilylethylsulfamoyl)hexanoate

C12H27NO4SSi — CID 99802832

IUPACmethyl 6-(2-trimethylsilylethylsulfamoyl)hexanoate
SMILESCOC(=O)CCCCCS(=O)(=O)NCC[Si](C)(C)C
InChIInChI=1S/C12H27NO4SSi/c1-17-12(14)8-6-5-7-10-18(15,16)13-9-11-19(2,3)4/h13H,5-11H2,1-4H3
InChIKeyXWSBMYWYBISQIU-UHFFFAOYSA-N
MW309.50 g/mol
LogP1.98
Rot. Bonds10

About methyl 6-(2-trimethylsilylethylsulfamoyl)hexanoate

methyl 6-(2-trimethylsilylethylsulfamoyl)hexanoate (PubChem CID 99802832) has the molecular formula C12H27NO4SSi and a molecular weight of 309.50 g/mol. Its IUPAC name is methyl 6-(2-trimethylsilylethylsulfamoyl)hexanoate.

Molecular Properties

Compound Namemethyl 6-(2-trimethylsilylethylsulfamoyl)hexanoate
PubChem CID99802832
Molecular FormulaC12H27NO4SSi
Molecular Weight309.50 g/mol
Exact Mass309.14
IUPAC Namemethyl 6-(2-trimethylsilylethylsulfamoyl)hexanoate
SMILESCOC(=O)CCCCCS(=O)(=O)NCC[Si](C)(C)C
InChIInChI=1S/C12H27NO4SSi/c1-17-12(14)8-6-5-7-10-18(15,16)13-9-11-19(2,3)4/h13H,5-11H2,1-4H3
InChIKeyXWSBMYWYBISQIU-UHFFFAOYSA-N
XLogP1.98
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(3-methylsulfonylpropylsulfamoyl)butanoate
CID 54951863
methyl 4-(3-iodopropylsulfamoyl)butanoate
CID 106442100
methyl 6-[(3-ethoxy-3-oxopropyl)sulfonylamino]hexanoate
CID 61459374
methyl 4-[3-(propan-2-ylamino)propylsulfamoyl]butanoate
CID 54952218
methyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate
CID 83039400
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762
dimethyl dotriacontanedioate
CID 14325565
methyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate
CID 54952641
methyl 4-(2-butoxyethylsulfamoyl)butanoate
CID 54951970
sodium;hydride;8-methoxy-8-oxooctane-1-sulfonic acid
CID 173039540
N-(2-trimethoxysilylethyl)octane-1-sulfonamide
CID 86158563

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-trimethylsilylethylsulfamoyl)hexanoate?
The IUPAC name of methyl 6-(2-trimethylsilylethylsulfamoyl)hexanoate (CID 99802832) is methyl 6-(2-trimethylsilylethylsulfamoyl)hexanoate.
What is the SMILES notation for methyl 6-(2-trimethylsilylethylsulfamoyl)hexanoate?
The canonical SMILES for methyl 6-(2-trimethylsilylethylsulfamoyl)hexanoate is COC(=O)CCCCCS(=O)(=O)NCC[Si](C)(C)C.
What is the InChIKey of methyl 6-(2-trimethylsilylethylsulfamoyl)hexanoate?
The InChIKey is XWSBMYWYBISQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO4SSi/c1-17-12(14)8-6-5-7-10-18(15,16)13-9-11-19(2,3)4/h13H,5-11H2,1-4H3.
What are the key properties of methyl 6-(2-trimethylsilylethylsulfamoyl)hexanoate?
methyl 6-(2-trimethylsilylethylsulfamoyl)hexanoate has a molecular weight of 309.50 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-trimethylsilylethylsulfamoyl)hexanoate is sourced from PubChem (CID 99802832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).