diethyl(sulfo)azanium

C4H12NO3S+ — CID 132531496

IUPACdiethyl(sulfo)azanium
SMILESCC[NH+](CC)S(=O)(=O)O
InChIInChI=1S/C4H11NO3S/c1-3-5(4-2)9(6,7)8/h3-4H2,1-2H3,(H,6,7,8)/p+1
InChIKeyNXFNZLHFBJYCPG-UHFFFAOYSA-O
MW154.21 g/mol
LogP-1.29
Rot. Bonds3

About diethyl(sulfo)azanium

diethyl(sulfo)azanium (PubChem CID 132531496) has the molecular formula C4H12NO3S+ and a molecular weight of 154.21 g/mol. Its IUPAC name is diethyl(sulfo)azanium.

Molecular Properties

Compound Namediethyl(sulfo)azanium
PubChem CID132531496
Molecular FormulaC4H12NO3S+
Molecular Weight154.21 g/mol
Exact Mass154.05
IUPAC Namediethyl(sulfo)azanium
SMILESCC[NH+](CC)S(=O)(=O)O
InChIInChI=1S/C4H11NO3S/c1-3-5(4-2)9(6,7)8/h3-4H2,1-2H3,(H,6,7,8)/p+1
InChIKeyNXFNZLHFBJYCPG-UHFFFAOYSA-O
XLogP-1.29
TPSA58.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of diethyl(sulfo)azanium?
The IUPAC name of diethyl(sulfo)azanium (CID 132531496) is diethyl(sulfo)azanium.
What is the SMILES notation for diethyl(sulfo)azanium?
The canonical SMILES for diethyl(sulfo)azanium is CC[NH+](CC)S(=O)(=O)O.
What is the InChIKey of diethyl(sulfo)azanium?
The InChIKey is NXFNZLHFBJYCPG-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11NO3S/c1-3-5(4-2)9(6,7)8/h3-4H2,1-2H3,(H,6,7,8)/p+1.
What are the key properties of diethyl(sulfo)azanium?
diethyl(sulfo)azanium has a molecular weight of 154.21 g/mol, XLogP of -1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(sulfo)azanium is sourced from PubChem (CID 132531496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).