5-pyridin-2-ylhex-5-ene-1-sulfonic acid

C11H15NO3S — CID 175534242

IUPAC5-pyridin-2-ylhex-5-ene-1-sulfonic acid
SMILESC=C(CCCCS(=O)(=O)O)c1ccccn1
InChIInChI=1S/C11H15NO3S/c1-10(11-7-2-4-8-12-11)6-3-5-9-16(13,14)15/h2,4,7-8H,1,3,5-6,9H2,(H,13,14,15)
InChIKeyUIVMYQOZJVUMAD-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.15
Rot. Bonds6

About 5-pyridin-2-ylhex-5-ene-1-sulfonic acid

5-pyridin-2-ylhex-5-ene-1-sulfonic acid (PubChem CID 175534242) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 5-pyridin-2-ylhex-5-ene-1-sulfonic acid.

Molecular Properties

Compound Name5-pyridin-2-ylhex-5-ene-1-sulfonic acid
PubChem CID175534242
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name5-pyridin-2-ylhex-5-ene-1-sulfonic acid
SMILESC=C(CCCCS(=O)(=O)O)c1ccccn1
InChIInChI=1S/C11H15NO3S/c1-10(11-7-2-4-8-12-11)6-3-5-9-16(13,14)15/h2,4,7-8H,1,3,5-6,9H2,(H,13,14,15)
InChIKeyUIVMYQOZJVUMAD-UHFFFAOYSA-N
XLogP2.15
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-hept-1-en-2-ylpyridine
CID 67857415
4-methylsulfonyl-1-pyridin-2-ylbutan-1-one
CID 63192067
3-pyridin-2-ylbut-3-enenitrile
CID 14046525
2-(4,4,4-trifluorobut-1-en-2-yl)pyridine
CID 102489188
[pyridine-2-carbonyl(sulfomethyl)amino]methanesulfonic acid
CID 90695309
N,N-dimethyl-2-pyridin-2-ylprop-2-en-1-amine;hydrochloride
CID 54606559
1-pyridin-2-ylhexan-1-one
CID 556347
(5-oxo-5-pyridin-2-ylpentyl)carbamic acid
CID 68759301
butane-1,4-disulfonic acid;ethene
CID 173210763
10-phenoxydecane-1-sulfonic acid
CID 58984193
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
N'-aminopyridine-2-carboximidamide
CID 5464234

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-ylhex-5-ene-1-sulfonic acid?
The IUPAC name of 5-pyridin-2-ylhex-5-ene-1-sulfonic acid (CID 175534242) is 5-pyridin-2-ylhex-5-ene-1-sulfonic acid.
What is the SMILES notation for 5-pyridin-2-ylhex-5-ene-1-sulfonic acid?
The canonical SMILES for 5-pyridin-2-ylhex-5-ene-1-sulfonic acid is C=C(CCCCS(=O)(=O)O)c1ccccn1.
What is the InChIKey of 5-pyridin-2-ylhex-5-ene-1-sulfonic acid?
The InChIKey is UIVMYQOZJVUMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-10(11-7-2-4-8-12-11)6-3-5-9-16(13,14)15/h2,4,7-8H,1,3,5-6,9H2,(H,13,14,15).
What are the key properties of 5-pyridin-2-ylhex-5-ene-1-sulfonic acid?
5-pyridin-2-ylhex-5-ene-1-sulfonic acid has a molecular weight of 241.31 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-ylhex-5-ene-1-sulfonic acid is sourced from PubChem (CID 175534242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).