potassium N-(3-sulfopropyl)icosanimidate

C23H46KNO4S — CID 101283713

IUPACpotassium N-(3-sulfopropyl)icosanimidate
SMILESCCCCCCCCCCCCCCCCCCC/C([O-])=N/CCCS(=O)(=O)O.[K+]
InChIInChI=1S/C23H47NO4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)24-21-19-22-29(26,27)28;/h2-22H2,1H3,(H,24,25)(H,26,27,28);/q;+1/p-1
InChIKeyHWNLJCZJAXLESZ-UHFFFAOYSA-M
MW471.79 g/mol
LogP3.07
Rot. Bonds22

About potassium N-(3-sulfopropyl)icosanimidate

potassium N-(3-sulfopropyl)icosanimidate (PubChem CID 101283713) has the molecular formula C23H46KNO4S and a molecular weight of 471.79 g/mol. Its IUPAC name is potassium N-(3-sulfopropyl)icosanimidate.

Molecular Properties

Compound Namepotassium N-(3-sulfopropyl)icosanimidate
PubChem CID101283713
Molecular FormulaC23H46KNO4S
Molecular Weight471.79 g/mol
Exact Mass471.28
IUPAC Namepotassium N-(3-sulfopropyl)icosanimidate
SMILESCCCCCCCCCCCCCCCCCCC/C([O-])=N/CCCS(=O)(=O)O.[K+]
InChIInChI=1S/C23H47NO4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)24-21-19-22-29(26,27)28;/h2-22H2,1H3,(H,24,25)(H,26,27,28);/q;+1/p-1
InChIKeyHWNLJCZJAXLESZ-UHFFFAOYSA-M
XLogP3.07
TPSA89.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.79
LogP ≤ 53.07
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-(3-sulfopropyl)hexadecanimidate
CID 101283698
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 N-(2-sulfoethyl)nonadecanimidate
CID 101283135
potassium N-(2-sulfoethyl)tetracosanimidate
CID 101283150
potassium (E)-N-(3-sulfopropyl)octadec-9-enimidate
CID 101283847
sodium N-(2-sulfoethyl)hexadecanimidate
CID 101283125
sodium N-(2-sulfoethyl)pentadecanimidate
CID 101283121
sodium N-(2-sulfoethyl)heptadecanimidate
CID 101283128
calcium;3-(octanoylamino)propane-1-sulfonic acid;N-(3-sulfonatopropyl)octanimidate
CID 101283669

Frequently Asked Questions

What is the IUPAC name of potassium N-(3-sulfopropyl)icosanimidate?
The IUPAC name of potassium N-(3-sulfopropyl)icosanimidate (CID 101283713) is potassium N-(3-sulfopropyl)icosanimidate.
What is the SMILES notation for potassium N-(3-sulfopropyl)icosanimidate?
The canonical SMILES for potassium N-(3-sulfopropyl)icosanimidate is CCCCCCCCCCCCCCCCCCC/C([O-])=N/CCCS(=O)(=O)O.[K+].
What is the InChIKey of potassium N-(3-sulfopropyl)icosanimidate?
The InChIKey is HWNLJCZJAXLESZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H47NO4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)24-21-19-22-29(26,27)28;/h2-22H2,1H3,(H,24,25)(H,26,27,28);/q;+1/p-1.
What are the key properties of potassium N-(3-sulfopropyl)icosanimidate?
potassium N-(3-sulfopropyl)icosanimidate has a molecular weight of 471.79 g/mol, XLogP of 3.07, 22 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-(3-sulfopropyl)icosanimidate is sourced from PubChem (CID 101283713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).