tert-butylazanium;N-tert-butylsulfamate

C8H22N2O3S — CID 134113851

IUPACtert-butylazanium;N-tert-butylsulfamate
SMILESCC(C)(C)NS(=O)(=O)[O-].CC(C)(C)[NH3+]
InChIInChI=1S/C4H11NO3S.C4H11N/c1-4(2,3)5-9(6,7)8;1-4(2,3)5/h5H,1-3H3,(H,6,7,8);5H2,1-3H3
InChIKeyIJAMEOYKRMYIDG-UHFFFAOYSA-N
MW226.34 g/mol
LogP-0.14
Rot. Bonds1

About tert-butylazanium;N-tert-butylsulfamate

tert-butylazanium;N-tert-butylsulfamate (PubChem CID 134113851) has the molecular formula C8H22N2O3S and a molecular weight of 226.34 g/mol. Its IUPAC name is tert-butylazanium;N-tert-butylsulfamate.

Molecular Properties

Compound Nametert-butylazanium;N-tert-butylsulfamate
PubChem CID134113851
Molecular FormulaC8H22N2O3S
Molecular Weight226.34 g/mol
Exact Mass226.14
IUPAC Nametert-butylazanium;N-tert-butylsulfamate
SMILESCC(C)(C)NS(=O)(=O)[O-].CC(C)(C)[NH3+]
InChIInChI=1S/C4H11NO3S.C4H11N/c1-4(2,3)5-9(6,7)8;1-4(2,3)5/h5H,1-3H3,(H,6,7,8);5H2,1-3H3
InChIKeyIJAMEOYKRMYIDG-UHFFFAOYSA-N
XLogP-0.14
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azanium N-tert-butylsulfamate
CID 87696521
tert-butylazanium;hydrogen sulfate
CID 24996679
sodium N-(1-hydroxy-2-methylpropan-2-yl)sulfamate
CID 174221206
N-tert-butylmethanesulfonamide;2,2-dimethylpropane
CID 161299007
benzene;tert-butylsulfamic acid
CID 67910902
iron(2+);bis(N-methylsulfamate)
CID 175322487
2-methyl-N-(trimethyl-λ4-sulfanyl)propan-2-amine
CID 155378348
trisodium;tris((tert-butylamino)methanesulfonate)
CID 141165916
2-[[tert-butyl(methyl)sulfamoyl]amino]-2-methylpropane
CID 134401979
2,2,4,4-tetramethylpentan-3-ylphosphane sulfate
CID 23136681
disodium;2-(2-sulfonatopropan-2-yldisulfanyl)propane-2-sulfonate
CID 141236785
N-tert-butyl-3-chloro-2-methylpropane-1-sulfonamide
CID 79579871

Frequently Asked Questions

What is the IUPAC name of tert-butylazanium;N-tert-butylsulfamate?
The IUPAC name of tert-butylazanium;N-tert-butylsulfamate (CID 134113851) is tert-butylazanium;N-tert-butylsulfamate.
What is the SMILES notation for tert-butylazanium;N-tert-butylsulfamate?
The canonical SMILES for tert-butylazanium;N-tert-butylsulfamate is CC(C)(C)NS(=O)(=O)[O-].CC(C)(C)[NH3+].
What is the InChIKey of tert-butylazanium;N-tert-butylsulfamate?
The InChIKey is IJAMEOYKRMYIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S.C4H11N/c1-4(2,3)5-9(6,7)8;1-4(2,3)5/h5H,1-3H3,(H,6,7,8);5H2,1-3H3.
What are the key properties of tert-butylazanium;N-tert-butylsulfamate?
tert-butylazanium;N-tert-butylsulfamate has a molecular weight of 226.34 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylazanium;N-tert-butylsulfamate is sourced from PubChem (CID 134113851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).