potassium N-(2-sulfoethyl)nonadecanimidate

C21H42KNO4S — CID 101283135

IUPACpotassium N-(2-sulfoethyl)nonadecanimidate
SMILESCCCCCCCCCCCCCCCCCC/C([O-])=N/CCS(=O)(=O)O.[K+]
InChIInChI=1S/C21H43NO4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22-19-20-27(24,25)26;/h2-20H2,1H3,(H,22,23)(H,24,25,26);/q;+1/p-1
InChIKeyJSIWURZTOCGUBZ-UHFFFAOYSA-M
MW443.74 g/mol
LogP2.29
Rot. Bonds20

About potassium N-(2-sulfoethyl)nonadecanimidate

potassium N-(2-sulfoethyl)nonadecanimidate (PubChem CID 101283135) has the molecular formula C21H42KNO4S and a molecular weight of 443.74 g/mol. Its IUPAC name is potassium N-(2-sulfoethyl)nonadecanimidate.

Molecular Properties

Compound Namepotassium N-(2-sulfoethyl)nonadecanimidate
PubChem CID101283135
Molecular FormulaC21H42KNO4S
Molecular Weight443.74 g/mol
Exact Mass443.25
IUPAC Namepotassium N-(2-sulfoethyl)nonadecanimidate
SMILESCCCCCCCCCCCCCCCCCC/C([O-])=N/CCS(=O)(=O)O.[K+]
InChIInChI=1S/C21H43NO4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22-19-20-27(24,25)26;/h2-20H2,1H3,(H,22,23)(H,24,25,26);/q;+1/p-1
InChIKeyJSIWURZTOCGUBZ-UHFFFAOYSA-M
XLogP2.29
TPSA89.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.74
LogP ≤ 52.29
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'}

Analyze potassium N-(2-sulfoethyl)nonadecanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium N-(2-sulfoethyl)tetracosanimidate
CID 101283150
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)heptadecanimidate
CID 101284406
sodium N-(4-sulfobutyl)octanimidate
CID 101284371
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)nonadecanimidate?
The IUPAC name of potassium N-(2-sulfoethyl)nonadecanimidate (CID 101283135) is potassium N-(2-sulfoethyl)nonadecanimidate.
What is the SMILES notation for potassium N-(2-sulfoethyl)nonadecanimidate?
The canonical SMILES for potassium N-(2-sulfoethyl)nonadecanimidate is CCCCCCCCCCCCCCCCCC/C([O-])=N/CCS(=O)(=O)O.[K+].
What is the InChIKey of potassium N-(2-sulfoethyl)nonadecanimidate?
The InChIKey is JSIWURZTOCGUBZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H43NO4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22-19-20-27(24,25)26;/h2-20H2,1H3,(H,22,23)(H,24,25,26);/q;+1/p-1.
What are the key properties of potassium N-(2-sulfoethyl)nonadecanimidate?
potassium N-(2-sulfoethyl)nonadecanimidate has a molecular weight of 443.74 g/mol, XLogP of 2.29, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-(2-sulfoethyl)nonadecanimidate is sourced from PubChem (CID 101283135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).