azanium N-tert-butylsulfamate

C4H14N2O3S — CID 87696521

IUPACazanium N-tert-butylsulfamate
SMILESCC(C)(C)NS(=O)(=O)[O-].[NH4+]
InChIInChI=1S/C4H11NO3S.H3N/c1-4(2,3)5-9(6,7)8;/h5H,1-3H3,(H,6,7,8);1H3
InChIKeyMWCIBOWINYOLNS-UHFFFAOYSA-N
MW170.23 g/mol
LogP0.21
Rot. Bonds1

About azanium N-tert-butylsulfamate

azanium N-tert-butylsulfamate (PubChem CID 87696521) has the molecular formula C4H14N2O3S and a molecular weight of 170.23 g/mol. Its IUPAC name is azanium N-tert-butylsulfamate.

Molecular Properties

Compound Nameazanium N-tert-butylsulfamate
PubChem CID87696521
Molecular FormulaC4H14N2O3S
Molecular Weight170.23 g/mol
Exact Mass170.07
IUPAC Nameazanium N-tert-butylsulfamate
SMILESCC(C)(C)NS(=O)(=O)[O-].[NH4+]
InChIInChI=1S/C4H11NO3S.H3N/c1-4(2,3)5-9(6,7)8;/h5H,1-3H3,(H,6,7,8);1H3
InChIKeyMWCIBOWINYOLNS-UHFFFAOYSA-N
XLogP0.21
TPSA105.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 50.21
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

tert-butylazanium;N-tert-butylsulfamate
CID 134113851
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
octaazanium;tetrasulfate
CID 86742620
azanium;lithium;sulfate
CID 139045804
disodium;2-(2-sulfonatopropan-2-yldisulfanyl)propane-2-sulfonate
CID 141236785
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137

Frequently Asked Questions

What is the IUPAC name of azanium N-tert-butylsulfamate?
The IUPAC name of azanium N-tert-butylsulfamate (CID 87696521) is azanium N-tert-butylsulfamate.
What is the SMILES notation for azanium N-tert-butylsulfamate?
The canonical SMILES for azanium N-tert-butylsulfamate is CC(C)(C)NS(=O)(=O)[O-].[NH4+].
What is the InChIKey of azanium N-tert-butylsulfamate?
The InChIKey is MWCIBOWINYOLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S.H3N/c1-4(2,3)5-9(6,7)8;/h5H,1-3H3,(H,6,7,8);1H3.
What are the key properties of azanium N-tert-butylsulfamate?
azanium N-tert-butylsulfamate has a molecular weight of 170.23 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium N-tert-butylsulfamate is sourced from PubChem (CID 87696521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).