2-(tetracosanoylamino)ethanesulfonic acid

C26H53NO4S — CID 53442599

IUPAC2-(tetracosanoylamino)ethanesulfonic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O
InChIInChI=1S/C26H53NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27-24-25-32(29,30)31/h2-25H2,1H3,(H,27,28)(H,29,30,31)
InChIKeyDDCFSFYOVZMRHL-UHFFFAOYSA-N
MW475.78 g/mol
LogP7.59
Rot. Bonds25

About 2-(tetracosanoylamino)ethanesulfonic acid

2-(tetracosanoylamino)ethanesulfonic acid (PubChem CID 53442599) has the molecular formula C26H53NO4S and a molecular weight of 475.78 g/mol. Its IUPAC name is 2-(tetracosanoylamino)ethanesulfonic acid.

Molecular Properties

Compound Name2-(tetracosanoylamino)ethanesulfonic acid
PubChem CID53442599
Molecular FormulaC26H53NO4S
Molecular Weight475.78 g/mol
Exact Mass475.37
IUPAC Name2-(tetracosanoylamino)ethanesulfonic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O
InChIInChI=1S/C26H53NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27-24-25-32(29,30)31/h2-25H2,1H3,(H,27,28)(H,29,30,31)
InChIKeyDDCFSFYOVZMRHL-UHFFFAOYSA-N
XLogP7.59
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.78
LogP ≤ 57.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Sodium Methyl Stearoyl Taurate
CID 23667652
Sodium Methyl Palmitoyl Taurate
CID 517052
Sodium 2-[(1-oxododecyl)amino]ethanesulphonate
CID 23663552
ethanesulfonic acid, 2-(methyl(1-oxotetradecyl)amino)-, sodium salt
CID 23664339
N-Stearoyl Taurine
CID 168274
N-Palmitoyl Taurine
CID 14504290
Calcium Lauroyl Taurate
CID 15973837
N-docosanoyl taurine
CID 42607333
N-icosanoyltaurine
CID 86014199
Sodium 3-[5-(dithiolan-3-yl)pentanoylamino]propane-1-sulfonate
CID 137632574
Asb-14
CID 4046965
2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Pentadecafluorodecanamido)ethanesulfonic acid
CID 165362539

Frequently Asked Questions

What is the IUPAC name of 2-(tetracosanoylamino)ethanesulfonic acid?
The IUPAC name of 2-(tetracosanoylamino)ethanesulfonic acid (CID 53442599) is 2-(tetracosanoylamino)ethanesulfonic acid.
What is the SMILES notation for 2-(tetracosanoylamino)ethanesulfonic acid?
The canonical SMILES for 2-(tetracosanoylamino)ethanesulfonic acid is CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O.
What is the InChIKey of 2-(tetracosanoylamino)ethanesulfonic acid?
The InChIKey is DDCFSFYOVZMRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27-24-25-32(29,30)31/h2-25H2,1H3,(H,27,28)(H,29,30,31).
What are the key properties of 2-(tetracosanoylamino)ethanesulfonic acid?
2-(tetracosanoylamino)ethanesulfonic acid has a molecular weight of 475.78 g/mol, XLogP of 7.59, 25 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetracosanoylamino)ethanesulfonic acid is sourced from PubChem (CID 53442599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).