potassium;2-aminoethanesulfonic acid;dodecanoate

C14H30KNO5S — CID 87320369

IUPACpotassium;2-aminoethanesulfonic acid;dodecanoate
SMILESCCCCCCCCCCCC(=O)[O-].NCCS(=O)(=O)O.[K+]
InChIInChI=1S/C12H24O2.C2H7NO3S.K/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;3-1-2-7(4,5)6;/h2-11H2,1H3,(H,13,14);1-3H2,(H,4,5,6);/q;;+1/p-1
InChIKeyYXUKIOYEWGMHBJ-UHFFFAOYSA-M
MW363.56 g/mol
LogP-1.51
Rot. Bonds12

About potassium;2-aminoethanesulfonic acid;dodecanoate

potassium;2-aminoethanesulfonic acid;dodecanoate (PubChem CID 87320369) has the molecular formula C14H30KNO5S and a molecular weight of 363.56 g/mol. Its IUPAC name is potassium;2-aminoethanesulfonic acid;dodecanoate.

Molecular Properties

Compound Namepotassium;2-aminoethanesulfonic acid;dodecanoate
PubChem CID87320369
Molecular FormulaC14H30KNO5S
Molecular Weight363.56 g/mol
Exact Mass363.15
IUPAC Namepotassium;2-aminoethanesulfonic acid;dodecanoate
SMILESCCCCCCCCCCCC(=O)[O-].NCCS(=O)(=O)O.[K+]
InChIInChI=1S/C12H24O2.C2H7NO3S.K/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;3-1-2-7(4,5)6;/h2-11H2,1H3,(H,13,14);1-3H2,(H,4,5,6);/q;;+1/p-1
InChIKeyYXUKIOYEWGMHBJ-UHFFFAOYSA-M
XLogP-1.51
TPSA120.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.56
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

octan-1-amine;octanoate
CID 23330056
copper;ethane-1,2-diamine;bis(octanoate)
CID 158301561
potassium heptadecanoate
CID 23668524
potassium heptanoate
CID 23681741
silver octanoate
CID 15250566
potassium decanoate
CID 23688501
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
tetrakis(decanoate);osmium(4+)
CID 162078983
potassium pentadecanoate
CID 23696764
lithium octatriacontanoate
CID 139791501
lithium nonapentacontanoate
CID 139791529
octapotassium;octakis(decanoate)
CID 23617120

Frequently Asked Questions

What is the IUPAC name of potassium;2-aminoethanesulfonic acid;dodecanoate?
The IUPAC name of potassium;2-aminoethanesulfonic acid;dodecanoate (CID 87320369) is potassium;2-aminoethanesulfonic acid;dodecanoate.
What is the SMILES notation for potassium;2-aminoethanesulfonic acid;dodecanoate?
The canonical SMILES for potassium;2-aminoethanesulfonic acid;dodecanoate is CCCCCCCCCCCC(=O)[O-].NCCS(=O)(=O)O.[K+].
What is the InChIKey of potassium;2-aminoethanesulfonic acid;dodecanoate?
The InChIKey is YXUKIOYEWGMHBJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H24O2.C2H7NO3S.K/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;3-1-2-7(4,5)6;/h2-11H2,1H3,(H,13,14);1-3H2,(H,4,5,6);/q;;+1/p-1.
What are the key properties of potassium;2-aminoethanesulfonic acid;dodecanoate?
potassium;2-aminoethanesulfonic acid;dodecanoate has a molecular weight of 363.56 g/mol, XLogP of -1.51, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-aminoethanesulfonic acid;dodecanoate is sourced from PubChem (CID 87320369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).