2-aminoethyl-dimethyl-(sulfomethyl)azanium

C5H15N2O3S+ — CID 89432755

IUPAC2-aminoethyl-dimethyl-(sulfomethyl)azanium
SMILESC[N+](C)(CCN)CS(=O)(=O)O
InChIInChI=1S/C5H14N2O3S/c1-7(2,4-3-6)5-11(8,9)10/h3-6H2,1-2H3/p+1
InChIKeySGQIFVMEEJSSGB-UHFFFAOYSA-O
MW183.25 g/mol
LogP-1.13
Rot. Bonds4

About 2-aminoethyl-dimethyl-(sulfomethyl)azanium

2-aminoethyl-dimethyl-(sulfomethyl)azanium (PubChem CID 89432755) has the molecular formula C5H15N2O3S+ and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-aminoethyl-dimethyl-(sulfomethyl)azanium.

Molecular Properties

Compound Name2-aminoethyl-dimethyl-(sulfomethyl)azanium
PubChem CID89432755
Molecular FormulaC5H15N2O3S+
Molecular Weight183.25 g/mol
Exact Mass183.08
IUPAC Name2-aminoethyl-dimethyl-(sulfomethyl)azanium
SMILESC[N+](C)(CCN)CS(=O)(=O)O
InChIInChI=1S/C5H14N2O3S/c1-7(2,4-3-6)5-11(8,9)10/h3-6H2,1-2H3/p+1
InChIKeySGQIFVMEEJSSGB-UHFFFAOYSA-O
XLogP-1.13
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl(sulfomethyl)azanium
CID 10154147
dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]-(sulfomethyl)azanium
CID 118351338
bis(aminomethyl)-methyl-(2-sulfoethyl)azanium
CID 89432733
bis(3-aminopropyl)-methyl-(3-sulfopropyl)azanium
CID 53495195
ethane-1,2-diamine;methanesulfonic acid
CID 161046577
dimethyl-(2-methylpropyl)-(2-sulfoethyl)azanium
CID 140913658
12-[dimethyl(4-sulfobutyl)azaniumyl]dodecyl-dimethyl-(4-sulfobutyl)azanium
CID 10649858
CID 172802604
CID 172802604
azane;ethane-1,2-diamine;sulfuric acid
CID 175425988
tris(ethenyl)-(sulfomethyl)azanium
CID 101285485
2-aminoethanesulfonic acid;iron
CID 174379186
butane-1,4-diamine;methanesulfonic acid
CID 160759082

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl-dimethyl-(sulfomethyl)azanium?
The IUPAC name of 2-aminoethyl-dimethyl-(sulfomethyl)azanium (CID 89432755) is 2-aminoethyl-dimethyl-(sulfomethyl)azanium.
What is the SMILES notation for 2-aminoethyl-dimethyl-(sulfomethyl)azanium?
The canonical SMILES for 2-aminoethyl-dimethyl-(sulfomethyl)azanium is C[N+](C)(CCN)CS(=O)(=O)O.
What is the InChIKey of 2-aminoethyl-dimethyl-(sulfomethyl)azanium?
The InChIKey is SGQIFVMEEJSSGB-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H14N2O3S/c1-7(2,4-3-6)5-11(8,9)10/h3-6H2,1-2H3/p+1.
What are the key properties of 2-aminoethyl-dimethyl-(sulfomethyl)azanium?
2-aminoethyl-dimethyl-(sulfomethyl)azanium has a molecular weight of 183.25 g/mol, XLogP of -1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl-dimethyl-(sulfomethyl)azanium is sourced from PubChem (CID 89432755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).