2-acetamido-2-aminoethanesulfonic acid

C4H10N2O4S — CID 10219696

IUPAC2-acetamido-2-aminoethanesulfonic acid
SMILESCC(=O)NC(N)CS(=O)(=O)O
InChIInChI=1S/C4H10N2O4S/c1-3(7)6-4(5)2-11(8,9)10/h4H,2,5H2,1H3,(H,6,7)(H,8,9,10)
InChIKeyBUCIZBUPLRHVAH-UHFFFAOYSA-N
MW182.20 g/mol
LogP-1.70
Rot. Bonds3

About 2-acetamido-2-aminoethanesulfonic acid

2-acetamido-2-aminoethanesulfonic acid (PubChem CID 10219696) has the molecular formula C4H10N2O4S and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-acetamido-2-aminoethanesulfonic acid.

Molecular Properties

Compound Name2-acetamido-2-aminoethanesulfonic acid
PubChem CID10219696
Molecular FormulaC4H10N2O4S
Molecular Weight182.20 g/mol
Exact Mass182.04
IUPAC Name2-acetamido-2-aminoethanesulfonic acid
SMILESCC(=O)NC(N)CS(=O)(=O)O
InChIInChI=1S/C4H10N2O4S/c1-3(7)6-4(5)2-11(8,9)10/h4H,2,5H2,1H3,(H,6,7)(H,8,9,10)
InChIKeyBUCIZBUPLRHVAH-UHFFFAOYSA-N
XLogP-1.70
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-aminoethanesulfonic acid?
The IUPAC name of 2-acetamido-2-aminoethanesulfonic acid (CID 10219696) is 2-acetamido-2-aminoethanesulfonic acid.
What is the SMILES notation for 2-acetamido-2-aminoethanesulfonic acid?
The canonical SMILES for 2-acetamido-2-aminoethanesulfonic acid is CC(=O)NC(N)CS(=O)(=O)O.
What is the InChIKey of 2-acetamido-2-aminoethanesulfonic acid?
The InChIKey is BUCIZBUPLRHVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O4S/c1-3(7)6-4(5)2-11(8,9)10/h4H,2,5H2,1H3,(H,6,7)(H,8,9,10).
What are the key properties of 2-acetamido-2-aminoethanesulfonic acid?
2-acetamido-2-aminoethanesulfonic acid has a molecular weight of 182.20 g/mol, XLogP of -1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-aminoethanesulfonic acid is sourced from PubChem (CID 10219696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).