benzene;1-(sulfinatosulfamoyl)-2-trimethylsilylethane

C11H20NO4S2Si- — CID 175187165

IUPACbenzene;1-(sulfinatosulfamoyl)-2-trimethylsilylethane
SMILESC[Si](C)(C)CCS(=O)(=O)NS(=O)[O-].c1ccccc1
InChIInChI=1S/C6H6.C5H15NO4S2Si/c1-2-4-6-5-3-1;1-13(2,3)5-4-12(9,10)6-11(7)8/h1-6H;6H,4-5H2,1-3H3,(H,7,8)/p-1
InChIKeyIXAQLPBGEXVGNK-UHFFFAOYSA-M
MW322.50 g/mol
LogP1.72
Rot. Bonds5

About benzene;1-(sulfinatosulfamoyl)-2-trimethylsilylethane

benzene;1-(sulfinatosulfamoyl)-2-trimethylsilylethane (PubChem CID 175187165) has the molecular formula C11H20NO4S2Si- and a molecular weight of 322.50 g/mol. Its IUPAC name is benzene;1-(sulfinatosulfamoyl)-2-trimethylsilylethane.

Molecular Properties

Compound Namebenzene;1-(sulfinatosulfamoyl)-2-trimethylsilylethane
PubChem CID175187165
Molecular FormulaC11H20NO4S2Si-
Molecular Weight322.50 g/mol
Exact Mass322.06
IUPAC Namebenzene;1-(sulfinatosulfamoyl)-2-trimethylsilylethane
SMILESC[Si](C)(C)CCS(=O)(=O)NS(=O)[O-].c1ccccc1
InChIInChI=1S/C6H6.C5H15NO4S2Si/c1-2-4-6-5-3-1;1-13(2,3)5-4-12(9,10)6-11(7)8/h1-6H;6H,4-5H2,1-3H3,(H,7,8)/p-1
InChIKeyIXAQLPBGEXVGNK-UHFFFAOYSA-M
XLogP1.72
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;1-(sulfinatosulfamoyl)-2-trimethylsilylethane?
The IUPAC name of benzene;1-(sulfinatosulfamoyl)-2-trimethylsilylethane (CID 175187165) is benzene;1-(sulfinatosulfamoyl)-2-trimethylsilylethane.
What is the SMILES notation for benzene;1-(sulfinatosulfamoyl)-2-trimethylsilylethane?
The canonical SMILES for benzene;1-(sulfinatosulfamoyl)-2-trimethylsilylethane is C[Si](C)(C)CCS(=O)(=O)NS(=O)[O-].c1ccccc1.
What is the InChIKey of benzene;1-(sulfinatosulfamoyl)-2-trimethylsilylethane?
The InChIKey is IXAQLPBGEXVGNK-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6.C5H15NO4S2Si/c1-2-4-6-5-3-1;1-13(2,3)5-4-12(9,10)6-11(7)8/h1-6H;6H,4-5H2,1-3H3,(H,7,8)/p-1.
What are the key properties of benzene;1-(sulfinatosulfamoyl)-2-trimethylsilylethane?
benzene;1-(sulfinatosulfamoyl)-2-trimethylsilylethane has a molecular weight of 322.50 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-(sulfinatosulfamoyl)-2-trimethylsilylethane is sourced from PubChem (CID 175187165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).