1-aminoethanesulfonate;triethylazanium

C8H22N2O3S — CID 141340656

IUPAC1-aminoethanesulfonate;triethylazanium
SMILESCC(N)S(=O)(=O)[O-].CC[NH+](CC)CC
InChIInChI=1S/C6H15N.C2H7NO3S/c1-4-7(5-2)6-3;1-2(3)7(4,5)6/h4-6H2,1-3H3;2H,3H2,1H3,(H,4,5,6)
InChIKeyHGDXOZKBQPTWKA-UHFFFAOYSA-N
MW226.34 g/mol
LogP-1.23
Rot. Bonds4

About 1-aminoethanesulfonate;triethylazanium

1-aminoethanesulfonate;triethylazanium (PubChem CID 141340656) has the molecular formula C8H22N2O3S and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-aminoethanesulfonate;triethylazanium.

Molecular Properties

Compound Name1-aminoethanesulfonate;triethylazanium
PubChem CID141340656
Molecular FormulaC8H22N2O3S
Molecular Weight226.34 g/mol
Exact Mass226.14
IUPAC Name1-aminoethanesulfonate;triethylazanium
SMILESCC(N)S(=O)(=O)[O-].CC[NH+](CC)CC
InChIInChI=1S/C6H15N.C2H7NO3S/c1-4-7(5-2)6-3;1-2(3)7(4,5)6/h4-6H2,1-3H3;2H,3H2,1H3,(H,4,5,6)
InChIKeyHGDXOZKBQPTWKA-UHFFFAOYSA-N
XLogP-1.23
TPSA87.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;1-aminoethanesulfonate;ethene
CID 162261200
lithium triethylazanium
CID 58758998
tetrakis(acetonitrile);nonakis(oxygen(2-));pentakis(triethylazanium);vanadium;tetrakis(vanadium(4+));tetrasulfate
CID 139173572
disodium;propane-1,2-disulfonate
CID 23131501
1,1,4,4,4-pentafluorobutane-1-sulfonate;triethylazanium
CID 165045362
N-(3-oxobutanoyl)sulfamate;triethylazanium
CID 11358019
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;triethylazanium
CID 21470349
nickel(2+);bis(propane-2-sulfonate)
CID 18692784
2,3-diaminobenzenesulfonate;triethylazanium
CID 139707303
bis(tetramethylphosphanium);sulfate
CID 87132356
ethyl(dimethyl)azanium;hydrogen sulfate
CID 156631439
1-bromoethanesulfonate
CID 22728676

Frequently Asked Questions

What is the IUPAC name of 1-aminoethanesulfonate;triethylazanium?
The IUPAC name of 1-aminoethanesulfonate;triethylazanium (CID 141340656) is 1-aminoethanesulfonate;triethylazanium.
What is the SMILES notation for 1-aminoethanesulfonate;triethylazanium?
The canonical SMILES for 1-aminoethanesulfonate;triethylazanium is CC(N)S(=O)(=O)[O-].CC[NH+](CC)CC.
What is the InChIKey of 1-aminoethanesulfonate;triethylazanium?
The InChIKey is HGDXOZKBQPTWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2H7NO3S/c1-4-7(5-2)6-3;1-2(3)7(4,5)6/h4-6H2,1-3H3;2H,3H2,1H3,(H,4,5,6).
What are the key properties of 1-aminoethanesulfonate;triethylazanium?
1-aminoethanesulfonate;triethylazanium has a molecular weight of 226.34 g/mol, XLogP of -1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethanesulfonate;triethylazanium is sourced from PubChem (CID 141340656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).