tert-butylsulfamoyl hydrogen sulfate

C4H11NO6S2 — CID 146204711

IUPACtert-butylsulfamoyl hydrogen sulfate
SMILESCC(C)(C)NS(=O)(=O)OS(=O)(=O)O
InChIInChI=1S/C4H11NO6S2/c1-4(2,3)5-12(6,7)11-13(8,9)10/h5H,1-3H3,(H,8,9,10)
InChIKeyZUQPAZLSZSVWGV-UHFFFAOYSA-N
MW233.27 g/mol
LogP-0.56
Rot. Bonds3

About tert-butylsulfamoyl hydrogen sulfate

tert-butylsulfamoyl hydrogen sulfate (PubChem CID 146204711) has the molecular formula C4H11NO6S2 and a molecular weight of 233.27 g/mol. Its IUPAC name is tert-butylsulfamoyl hydrogen sulfate.

Molecular Properties

Compound Nametert-butylsulfamoyl hydrogen sulfate
PubChem CID146204711
Molecular FormulaC4H11NO6S2
Molecular Weight233.27 g/mol
Exact Mass233.00
IUPAC Nametert-butylsulfamoyl hydrogen sulfate
SMILESCC(C)(C)NS(=O)(=O)OS(=O)(=O)O
InChIInChI=1S/C4H11NO6S2/c1-4(2,3)5-12(6,7)11-13(8,9)10/h5H,1-3H3,(H,8,9,10)
InChIKeyZUQPAZLSZSVWGV-UHFFFAOYSA-N
XLogP-0.56
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butylsulfamoyl hydrogen sulfate?
The IUPAC name of tert-butylsulfamoyl hydrogen sulfate (CID 146204711) is tert-butylsulfamoyl hydrogen sulfate.
What is the SMILES notation for tert-butylsulfamoyl hydrogen sulfate?
The canonical SMILES for tert-butylsulfamoyl hydrogen sulfate is CC(C)(C)NS(=O)(=O)OS(=O)(=O)O.
What is the InChIKey of tert-butylsulfamoyl hydrogen sulfate?
The InChIKey is ZUQPAZLSZSVWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO6S2/c1-4(2,3)5-12(6,7)11-13(8,9)10/h5H,1-3H3,(H,8,9,10).
What are the key properties of tert-butylsulfamoyl hydrogen sulfate?
tert-butylsulfamoyl hydrogen sulfate has a molecular weight of 233.27 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylsulfamoyl hydrogen sulfate is sourced from PubChem (CID 146204711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).