diethylazanium sulfamate

C4H14N2O3S — CID 134716121

IUPACdiethylazanium sulfamate
SMILESCC[NH2+]CC.NS(=O)(=O)[O-]
InChIInChI=1S/C4H11N.H3NO3S/c1-3-5-4-2;1-5(2,3)4/h5H,3-4H2,1-2H3;(H3,1,2,3,4)
InChIKeyATVPNOBAMISHNQ-UHFFFAOYSA-N
MW170.23 g/mol
LogP-2.01
Rot. Bonds2

About diethylazanium sulfamate

diethylazanium sulfamate (PubChem CID 134716121) has the molecular formula C4H14N2O3S and a molecular weight of 170.23 g/mol. Its IUPAC name is diethylazanium sulfamate.

Molecular Properties

Compound Namediethylazanium sulfamate
PubChem CID134716121
Molecular FormulaC4H14N2O3S
Molecular Weight170.23 g/mol
Exact Mass170.07
IUPAC Namediethylazanium sulfamate
SMILESCC[NH2+]CC.NS(=O)(=O)[O-]
InChIInChI=1S/C4H11N.H3NO3S/c1-3-5-4-2;1-5(2,3)4/h5H,3-4H2,1-2H3;(H3,1,2,3,4)
InChIKeyATVPNOBAMISHNQ-UHFFFAOYSA-N
XLogP-2.01
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 5-2.01
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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Frequently Asked Questions

What is the IUPAC name of diethylazanium sulfamate?
The IUPAC name of diethylazanium sulfamate (CID 134716121) is diethylazanium sulfamate.
What is the SMILES notation for diethylazanium sulfamate?
The canonical SMILES for diethylazanium sulfamate is CC[NH2+]CC.NS(=O)(=O)[O-].
What is the InChIKey of diethylazanium sulfamate?
The InChIKey is ATVPNOBAMISHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.H3NO3S/c1-3-5-4-2;1-5(2,3)4/h5H,3-4H2,1-2H3;(H3,1,2,3,4).
What are the key properties of diethylazanium sulfamate?
diethylazanium sulfamate has a molecular weight of 170.23 g/mol, XLogP of -2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethylazanium sulfamate is sourced from PubChem (CID 134716121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).