trimethylsilylsulfamic acid

C3H11NO3SSi — CID 70500703

IUPACtrimethylsilylsulfamic acid
SMILESC[Si](C)(C)NS(=O)(=O)O
InChIInChI=1S/C3H11NO3SSi/c1-9(2,3)4-8(5,6)7/h4H,1-3H3,(H,5,6,7)
InChIKeyHBACUQCBWSHGIE-UHFFFAOYSA-N
MW169.28 g/mol
LogP0.21
Rot. Bonds2

About trimethylsilylsulfamic acid

trimethylsilylsulfamic acid (PubChem CID 70500703) has the molecular formula C3H11NO3SSi and a molecular weight of 169.28 g/mol. Its IUPAC name is trimethylsilylsulfamic acid.

Molecular Properties

Compound Nametrimethylsilylsulfamic acid
PubChem CID70500703
Molecular FormulaC3H11NO3SSi
Molecular Weight169.28 g/mol
Exact Mass169.02
IUPAC Nametrimethylsilylsulfamic acid
SMILESC[Si](C)(C)NS(=O)(=O)O
InChIInChI=1S/C3H11NO3SSi/c1-9(2,3)4-8(5,6)7/h4H,1-3H3,(H,5,6,7)
InChIKeyHBACUQCBWSHGIE-UHFFFAOYSA-N
XLogP0.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilylsulfamic acid?
The IUPAC name of trimethylsilylsulfamic acid (CID 70500703) is trimethylsilylsulfamic acid.
What is the SMILES notation for trimethylsilylsulfamic acid?
The canonical SMILES for trimethylsilylsulfamic acid is C[Si](C)(C)NS(=O)(=O)O.
What is the InChIKey of trimethylsilylsulfamic acid?
The InChIKey is HBACUQCBWSHGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11NO3SSi/c1-9(2,3)4-8(5,6)7/h4H,1-3H3,(H,5,6,7).
What are the key properties of trimethylsilylsulfamic acid?
trimethylsilylsulfamic acid has a molecular weight of 169.28 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilylsulfamic acid is sourced from PubChem (CID 70500703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).