3-ethyl-1-propylpyridin-1-ium;methanesulfonic acid

C11H20NO3S+ — CID 175583465

IUPAC3-ethyl-1-propylpyridin-1-ium;methanesulfonic acid
SMILESCCC[n+]1cccc(CC)c1.CS(=O)(=O)O
InChIInChI=1S/C10H16N.CH4O3S/c1-3-7-11-8-5-6-10(4-2)9-11;1-5(2,3)4/h5-6,8-9H,3-4,7H2,1-2H3;1H3,(H,2,3,4)/q+1;
InChIKeyJEUYCDPKQQMUIO-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.45
Rot. Bonds3

About 3-ethyl-1-propylpyridin-1-ium;methanesulfonic acid

3-ethyl-1-propylpyridin-1-ium;methanesulfonic acid (PubChem CID 175583465) has the molecular formula C11H20NO3S+ and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-ethyl-1-propylpyridin-1-ium;methanesulfonic acid.

Molecular Properties

Compound Name3-ethyl-1-propylpyridin-1-ium;methanesulfonic acid
PubChem CID175583465
Molecular FormulaC11H20NO3S+
Molecular Weight246.35 g/mol
Exact Mass246.12
IUPAC Name3-ethyl-1-propylpyridin-1-ium;methanesulfonic acid
SMILESCCC[n+]1cccc(CC)c1.CS(=O)(=O)O
InChIInChI=1S/C10H16N.CH4O3S/c1-3-7-11-8-5-6-10(4-2)9-11;1-5(2,3)4/h5-6,8-9H,3-4,7H2,1-2H3;1H3,(H,2,3,4)/q+1;
InChIKeyJEUYCDPKQQMUIO-UHFFFAOYSA-N
XLogP1.45
TPSA58.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 3-ethyl-1-propylpyridin-1-ium;methanesulfonic acid 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

1-decyl-3-ethylpyridin-1-ium;methanesulfonic acid
CID 175583411
1-butyl-3-ethylpyridin-1-ium
CID 66672600
3-ethyl-1-octylpyridin-1-ium fluoride
CID 171570850
1-butyl-3-ethylpyridin-1-ium hexafluorophosphate
CID 140627235
3-chloro-1-propylpyridin-1-ium iodide
CID 139697435
3-butyl-1-decylpyridin-1-ium;methanesulfonate
CID 171571359
1-propylpyridin-1-ium-3-carbaldehyde
CID 19897042
1-propylpyridin-1-ium-3-carboxamide bromide
CID 12761071
(1-tetradecylpyridin-1-ium-3-yl)methanol
CID 11760839
1-butyl-3-pentylpyridin-1-ium
CID 11845919
3-butyl-1-heptadecylpyridin-1-ium
CID 69395997
1-hexyl-3-nonadecylpyridin-1-ium
CID 69397538

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propylpyridin-1-ium;methanesulfonic acid?
The IUPAC name of 3-ethyl-1-propylpyridin-1-ium;methanesulfonic acid (CID 175583465) is 3-ethyl-1-propylpyridin-1-ium;methanesulfonic acid.
What is the SMILES notation for 3-ethyl-1-propylpyridin-1-ium;methanesulfonic acid?
The canonical SMILES for 3-ethyl-1-propylpyridin-1-ium;methanesulfonic acid is CCC[n+]1cccc(CC)c1.CS(=O)(=O)O.
What is the InChIKey of 3-ethyl-1-propylpyridin-1-ium;methanesulfonic acid?
The InChIKey is JEUYCDPKQQMUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N.CH4O3S/c1-3-7-11-8-5-6-10(4-2)9-11;1-5(2,3)4/h5-6,8-9H,3-4,7H2,1-2H3;1H3,(H,2,3,4)/q+1;.
What are the key properties of 3-ethyl-1-propylpyridin-1-ium;methanesulfonic acid?
3-ethyl-1-propylpyridin-1-ium;methanesulfonic acid has a molecular weight of 246.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propylpyridin-1-ium;methanesulfonic acid is sourced from PubChem (CID 175583465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).