4-[1-(2-fluorophenyl)but-3-en-2-ylsulfonyl]piperidine

C15H20FNO2S — CID 174479310

IUPAC4-[1-(2-fluorophenyl)but-3-en-2-ylsulfonyl]piperidine
SMILESC=CC(Cc1ccccc1F)S(=O)(=O)C1CCNCC1
InChIInChI=1S/C15H20FNO2S/c1-2-13(11-12-5-3-4-6-15(12)16)20(18,19)14-7-9-17-10-8-14/h2-6,13-14,17H,1,7-11H2
InChIKeyPORUSCNDSLYTNR-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.09
Rot. Bonds5

About 4-[1-(2-fluorophenyl)but-3-en-2-ylsulfonyl]piperidine

4-[1-(2-fluorophenyl)but-3-en-2-ylsulfonyl]piperidine (PubChem CID 174479310) has the molecular formula C15H20FNO2S and a molecular weight of 297.39 g/mol. Its IUPAC name is 4-[1-(2-fluorophenyl)but-3-en-2-ylsulfonyl]piperidine.

Molecular Properties

Compound Name4-[1-(2-fluorophenyl)but-3-en-2-ylsulfonyl]piperidine
PubChem CID174479310
Molecular FormulaC15H20FNO2S
Molecular Weight297.39 g/mol
Exact Mass297.12
IUPAC Name4-[1-(2-fluorophenyl)but-3-en-2-ylsulfonyl]piperidine
SMILESC=CC(Cc1ccccc1F)S(=O)(=O)C1CCNCC1
InChIInChI=1S/C15H20FNO2S/c1-2-13(11-12-5-3-4-6-15(12)16)20(18,19)14-7-9-17-10-8-14/h2-6,13-14,17H,1,7-11H2
InChIKeyPORUSCNDSLYTNR-UHFFFAOYSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[1-(2-fluorophenyl)but-3-en-2-ylsulfonyl]piperidine 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

2-Phenylthiomorpholine
CID 5004199
N-(2-((bis(4-fluorophenyl)methyl)sulfinyl)ethyl)-3-phenylpropan-1-amine
CID 76321904
2-(benzylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 3269509
4-(4-Fluorobenzyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 2767991
4-Phenethyl-1lambda~6~,4-thiazinane-1,1-dione
CID 318456
(R)-N-(2-((3-Fluorobenzyl)sulfonyl)ethyl)butan-2-amine
CID 73053479
1-{2-[(3-Fluorobenzyl)sulfonyl]ethyl}pyrrolidine
CID 73053531
1-[2-[(4-Fluorophenyl)methylsulfonyl]ethyl]pyrrolidine
CID 73053534
N-(2-(benzhydrylsulfinyl)ethyl)butan-1-amine
CID 76325539
3-(Phenethylamino)tetrahydrothiophene 1,1-dioxide
CID 415163
3-[(2-fluorobenzyl)sulfonyl]-N-(3-piperidin-1-ylpropyl)propanamide
CID 3238643
(2R)-2-(3-fluorophenyl)-N-methyl-1-oxothiane-2-carbothioamide
CID 45266354

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluorophenyl)but-3-en-2-ylsulfonyl]piperidine?
The IUPAC name of 4-[1-(2-fluorophenyl)but-3-en-2-ylsulfonyl]piperidine (CID 174479310) is 4-[1-(2-fluorophenyl)but-3-en-2-ylsulfonyl]piperidine.
What is the SMILES notation for 4-[1-(2-fluorophenyl)but-3-en-2-ylsulfonyl]piperidine?
The canonical SMILES for 4-[1-(2-fluorophenyl)but-3-en-2-ylsulfonyl]piperidine is C=CC(Cc1ccccc1F)S(=O)(=O)C1CCNCC1.
What is the InChIKey of 4-[1-(2-fluorophenyl)but-3-en-2-ylsulfonyl]piperidine?
The InChIKey is PORUSCNDSLYTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2S/c1-2-13(11-12-5-3-4-6-15(12)16)20(18,19)14-7-9-17-10-8-14/h2-6,13-14,17H,1,7-11H2.
What are the key properties of 4-[1-(2-fluorophenyl)but-3-en-2-ylsulfonyl]piperidine?
4-[1-(2-fluorophenyl)but-3-en-2-ylsulfonyl]piperidine has a molecular weight of 297.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluorophenyl)but-3-en-2-ylsulfonyl]piperidine is sourced from PubChem (CID 174479310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).