potassium;2-methylprop-2-enoate;propane-1-sulfonic acid

C7H13KO5S — CID 175419913

IUPACpotassium;2-methylprop-2-enoate;propane-1-sulfonic acid
SMILESC=C(C)C(=O)[O-].CCCS(=O)(=O)O.[K+]
InChIInChI=1S/C4H6O2.C3H8O3S.K/c1-3(2)4(5)6;1-2-3-7(4,5)6;/h1H2,2H3,(H,5,6);2-3H2,1H3,(H,4,5,6);/q;;+1/p-1
InChIKeyFOWPTLBHCKRMBD-UHFFFAOYSA-M
MW248.34 g/mol
LogP-3.40
Rot. Bonds3

About potassium;2-methylprop-2-enoate;propane-1-sulfonic acid

potassium;2-methylprop-2-enoate;propane-1-sulfonic acid (PubChem CID 175419913) has the molecular formula C7H13KO5S and a molecular weight of 248.34 g/mol. Its IUPAC name is potassium;2-methylprop-2-enoate;propane-1-sulfonic acid.

Molecular Properties

Compound Namepotassium;2-methylprop-2-enoate;propane-1-sulfonic acid
PubChem CID175419913
Molecular FormulaC7H13KO5S
Molecular Weight248.34 g/mol
Exact Mass248.01
IUPAC Namepotassium;2-methylprop-2-enoate;propane-1-sulfonic acid
SMILESC=C(C)C(=O)[O-].CCCS(=O)(=O)O.[K+]
InChIInChI=1S/C4H6O2.C3H8O3S.K/c1-3(2)4(5)6;1-2-3-7(4,5)6;/h1H2,2H3,(H,5,6);2-3H2,1H3,(H,4,5,6);/q;;+1/p-1
InChIKeyFOWPTLBHCKRMBD-UHFFFAOYSA-M
XLogP-3.40
TPSA94.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 5-3.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-2-enamide;propane-1-sulfonic acid
CID 22719384
CID 121393600
CID 121393600
ethane;pentakis(propane-1-sulfonic acid)
CID 158893831
methanesulfonic acid;propane-1-sulfonic acid
CID 87924907
hydrazine;propane-1-sulfonic acid
CID 159325511
2-methylprop-2-enoate
CID 19005746
azane;2-hydroxyethyl 2-methylprop-2-enoate;propane-1-sulfonic acid
CID 174612493
2-methylprop-2-enamide;propane-1-sulfonic acid;prop-2-enenitrile
CID 174849605
lithium;propane-1-sulfonic acid;prop-2-enoylazanide
CID 160905808
5-methyl-4-oxohex-5-ene-1-sulfonic acid
CID 19862030
hexakis(2-methylprop-2-enoate);molybdenum
CID 173015670
gadolinium(3+);tris(2-methylprop-2-enoate)
CID 162156326

Frequently Asked Questions

What is the IUPAC name of potassium;2-methylprop-2-enoate;propane-1-sulfonic acid?
The IUPAC name of potassium;2-methylprop-2-enoate;propane-1-sulfonic acid (CID 175419913) is potassium;2-methylprop-2-enoate;propane-1-sulfonic acid.
What is the SMILES notation for potassium;2-methylprop-2-enoate;propane-1-sulfonic acid?
The canonical SMILES for potassium;2-methylprop-2-enoate;propane-1-sulfonic acid is C=C(C)C(=O)[O-].CCCS(=O)(=O)O.[K+].
What is the InChIKey of potassium;2-methylprop-2-enoate;propane-1-sulfonic acid?
The InChIKey is FOWPTLBHCKRMBD-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O2.C3H8O3S.K/c1-3(2)4(5)6;1-2-3-7(4,5)6;/h1H2,2H3,(H,5,6);2-3H2,1H3,(H,4,5,6);/q;;+1/p-1.
What are the key properties of potassium;2-methylprop-2-enoate;propane-1-sulfonic acid?
potassium;2-methylprop-2-enoate;propane-1-sulfonic acid has a molecular weight of 248.34 g/mol, XLogP of -3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-methylprop-2-enoate;propane-1-sulfonic acid is sourced from PubChem (CID 175419913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).