4-cyclopropylidene-1-(3,5-difluorophenyl)sulfonylpiperidine

C14H15F2NO2S — CID 121187243

IUPAC4-cyclopropylidene-1-(3,5-difluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCC(=C2CC2)CC1
InChIInChI=1S/C14H15F2NO2S/c15-12-7-13(16)9-14(8-12)20(18,19)17-5-3-11(4-6-17)10-1-2-10/h7-9H,1-6H2
InChIKeyMEXNOAITKZTRII-UHFFFAOYSA-N
MW299.34 g/mol
LogP2.84
Rot. Bonds2

About 4-cyclopropylidene-1-(3,5-difluorophenyl)sulfonylpiperidine

4-cyclopropylidene-1-(3,5-difluorophenyl)sulfonylpiperidine (PubChem CID 121187243) has the molecular formula C14H15F2NO2S and a molecular weight of 299.34 g/mol. Its IUPAC name is 4-cyclopropylidene-1-(3,5-difluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-cyclopropylidene-1-(3,5-difluorophenyl)sulfonylpiperidine
PubChem CID121187243
Molecular FormulaC14H15F2NO2S
Molecular Weight299.34 g/mol
Exact Mass299.08
IUPAC Name4-cyclopropylidene-1-(3,5-difluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCC(=C2CC2)CC1
InChIInChI=1S/C14H15F2NO2S/c15-12-7-13(16)9-14(8-12)20(18,19)17-5-3-11(4-6-17)10-1-2-10/h7-9H,1-6H2
InChIKeyMEXNOAITKZTRII-UHFFFAOYSA-N
XLogP2.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-cyclopropylidene-1-(3,5-difluorophenyl)sulfonylpiperidine 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-(3,5-difluorophenyl)sulfonylpiperidin-4-one
CID 150339337
4-cyclopropylidene-1-(3,4-difluorophenyl)sulfonylpiperidine
CID 121187202
1-(3,5-difluorophenyl)sulfonyl-1,4-diazepan-5-one
CID 60709305
4-cyclopropylidene-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 121187241
4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 121187247
4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
CID 121187182
4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 121187233
1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
CID 126770684
1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine
CID 121187216
4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine
CID 121187246
3-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341348
1-(3,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-ylpiperidine;hydrochloride
CID 146064617

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylidene-1-(3,5-difluorophenyl)sulfonylpiperidine?
The IUPAC name of 4-cyclopropylidene-1-(3,5-difluorophenyl)sulfonylpiperidine (CID 121187243) is 4-cyclopropylidene-1-(3,5-difluorophenyl)sulfonylpiperidine.
What is the SMILES notation for 4-cyclopropylidene-1-(3,5-difluorophenyl)sulfonylpiperidine?
The canonical SMILES for 4-cyclopropylidene-1-(3,5-difluorophenyl)sulfonylpiperidine is O=S(=O)(c1cc(F)cc(F)c1)N1CCC(=C2CC2)CC1.
What is the InChIKey of 4-cyclopropylidene-1-(3,5-difluorophenyl)sulfonylpiperidine?
The InChIKey is MEXNOAITKZTRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2S/c15-12-7-13(16)9-14(8-12)20(18,19)17-5-3-11(4-6-17)10-1-2-10/h7-9H,1-6H2.
What are the key properties of 4-cyclopropylidene-1-(3,5-difluorophenyl)sulfonylpiperidine?
4-cyclopropylidene-1-(3,5-difluorophenyl)sulfonylpiperidine has a molecular weight of 299.34 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylidene-1-(3,5-difluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 121187243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).