potassium N-(3-sulfopropyl)hexadecanimidate

C19H38KNO4S — CID 101283698

IUPACpotassium N-(3-sulfopropyl)hexadecanimidate
SMILESCCCCCCCCCCCCCCC/C([O-])=N/CCCS(=O)(=O)O.[K+]
InChIInChI=1S/C19H39NO4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)20-17-15-18-25(22,23)24;/h2-18H2,1H3,(H,20,21)(H,22,23,24);/q;+1/p-1
InChIKeyZHMGNGCZURTZLC-UHFFFAOYSA-M
MW415.68 g/mol
LogP1.51
Rot. Bonds18

About potassium N-(3-sulfopropyl)hexadecanimidate

potassium N-(3-sulfopropyl)hexadecanimidate (PubChem CID 101283698) has the molecular formula C19H38KNO4S and a molecular weight of 415.68 g/mol. Its IUPAC name is potassium N-(3-sulfopropyl)hexadecanimidate.

Molecular Properties

Compound Namepotassium N-(3-sulfopropyl)hexadecanimidate
PubChem CID101283698
Molecular FormulaC19H38KNO4S
Molecular Weight415.68 g/mol
Exact Mass415.22
IUPAC Namepotassium N-(3-sulfopropyl)hexadecanimidate
SMILESCCCCCCCCCCCCCCC/C([O-])=N/CCCS(=O)(=O)O.[K+]
InChIInChI=1S/C19H39NO4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)20-17-15-18-25(22,23)24;/h2-18H2,1H3,(H,20,21)(H,22,23,24);/q;+1/p-1
InChIKeyZHMGNGCZURTZLC-UHFFFAOYSA-M
XLogP1.51
TPSA89.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.68
LogP ≤ 51.51
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)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 N-(2-sulfoethyl)tetracosanimidate
CID 101283150
potassium N-(2-sulfoethyl)nonadecanimidate
CID 101283135
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)hexadecanimidate?
The IUPAC name of potassium N-(3-sulfopropyl)hexadecanimidate (CID 101283698) is potassium N-(3-sulfopropyl)hexadecanimidate.
What is the SMILES notation for potassium N-(3-sulfopropyl)hexadecanimidate?
The canonical SMILES for potassium N-(3-sulfopropyl)hexadecanimidate is CCCCCCCCCCCCCCC/C([O-])=N/CCCS(=O)(=O)O.[K+].
What is the InChIKey of potassium N-(3-sulfopropyl)hexadecanimidate?
The InChIKey is ZHMGNGCZURTZLC-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H39NO4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)20-17-15-18-25(22,23)24;/h2-18H2,1H3,(H,20,21)(H,22,23,24);/q;+1/p-1.
What are the key properties of potassium N-(3-sulfopropyl)hexadecanimidate?
potassium N-(3-sulfopropyl)hexadecanimidate has a molecular weight of 415.68 g/mol, XLogP of 1.51, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-(3-sulfopropyl)hexadecanimidate is sourced from PubChem (CID 101283698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).