potassium N-(2-sulfoethyl)tetracosanimidate

C26H52KNO4S — CID 101283150

IUPACpotassium N-(2-sulfoethyl)tetracosanimidate
SMILESCCCCCCCCCCCCCCCCCCCCCCC/C([O-])=N/CCS(=O)(=O)O.[K+]
InChIInChI=1S/C26H53NO4S.K/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);/q;+1/p-1
InChIKeyJRDQBDBSWMGJOM-UHFFFAOYSA-M
MW513.87 g/mol
LogP4.24
Rot. Bonds25

About potassium N-(2-sulfoethyl)tetracosanimidate

potassium N-(2-sulfoethyl)tetracosanimidate (PubChem CID 101283150) has the molecular formula C26H52KNO4S and a molecular weight of 513.87 g/mol. Its IUPAC name is potassium N-(2-sulfoethyl)tetracosanimidate.

Molecular Properties

Compound Namepotassium N-(2-sulfoethyl)tetracosanimidate
PubChem CID101283150
Molecular FormulaC26H52KNO4S
Molecular Weight513.87 g/mol
Exact Mass513.33
IUPAC Namepotassium N-(2-sulfoethyl)tetracosanimidate
SMILESCCCCCCCCCCCCCCCCCCCCCCC/C([O-])=N/CCS(=O)(=O)O.[K+]
InChIInChI=1S/C26H53NO4S.K/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);/q;+1/p-1
InChIKeyJRDQBDBSWMGJOM-UHFFFAOYSA-M
XLogP4.24
TPSA89.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.87
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

potassium N-(2-sulfoethyl)nonadecanimidate
CID 101283135
sodium N-(2-sulfoethyl)pentadecanimidate
CID 101283121
sodium N-(2-sulfoethyl)hexadecanimidate
CID 101283125
sodium N-(2-sulfoethyl)heptadecanimidate
CID 101283128
potassium N-(3-sulfopropyl)hexadecanimidate
CID 101283698
potassium N-(3-sulfopropyl)icosanimidate
CID 101283713
potassium N-(4-sulfobutyl)hexadecanimidate
CID 101284404
sodium N-(4-sulfobutyl)tridecanimidate
CID 101284390
sodium N-(4-sulfobutyl)octanimidate
CID 101284371
sodium N-(4-sulfobutyl)heptadecanimidate
CID 101284406
potassium (E)-N-(3-sulfopropyl)octadec-9-enimidate
CID 101283847
calcium;2-(docosanoylamino)ethanesulfonic acid;N-(2-sulfonatoethyl)docosanimidate
CID 101283145

Frequently Asked Questions

What is the IUPAC name of potassium N-(2-sulfoethyl)tetracosanimidate?
The IUPAC name of potassium N-(2-sulfoethyl)tetracosanimidate (CID 101283150) is potassium N-(2-sulfoethyl)tetracosanimidate.
What is the SMILES notation for potassium N-(2-sulfoethyl)tetracosanimidate?
The canonical SMILES for potassium N-(2-sulfoethyl)tetracosanimidate is CCCCCCCCCCCCCCCCCCCCCCC/C([O-])=N/CCS(=O)(=O)O.[K+].
What is the InChIKey of potassium N-(2-sulfoethyl)tetracosanimidate?
The InChIKey is JRDQBDBSWMGJOM-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H53NO4S.K/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);/q;+1/p-1.
What are the key properties of potassium N-(2-sulfoethyl)tetracosanimidate?
potassium N-(2-sulfoethyl)tetracosanimidate has a molecular weight of 513.87 g/mol, XLogP of 4.24, 25 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-(2-sulfoethyl)tetracosanimidate is sourced from PubChem (CID 101283150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).