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

C14H15F2NO2S — CID 121187202

IUPAC4-cyclopropylidene-1-(3,4-difluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCC(=C2CC2)CC1
InChIInChI=1S/C14H15F2NO2S/c15-13-4-3-12(9-14(13)16)20(18,19)17-7-5-11(6-8-17)10-1-2-10/h3-4,9H,1-2,5-8H2
InChIKeyOKDYGWOCZIEFLL-UHFFFAOYSA-N
MW299.34 g/mol
LogP2.84
Rot. Bonds2

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

4-cyclopropylidene-1-(3,4-difluorophenyl)sulfonylpiperidine (PubChem CID 121187202) has the molecular formula C14H15F2NO2S and a molecular weight of 299.34 g/mol. Its IUPAC name is 4-cyclopropylidene-1-(3,4-difluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-cyclopropylidene-1-(3,4-difluorophenyl)sulfonylpiperidine
PubChem CID121187202
Molecular FormulaC14H15F2NO2S
Molecular Weight299.34 g/mol
Exact Mass299.08
IUPAC Name4-cyclopropylidene-1-(3,4-difluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCC(=C2CC2)CC1
InChIInChI=1S/C14H15F2NO2S/c15-13-4-3-12(9-14(13)16)20(18,19)17-7-5-11(6-8-17)10-1-2-10/h3-4,9H,1-2,5-8H2
InChIKeyOKDYGWOCZIEFLL-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'}

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Related Compounds

1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine
CID 121187216
4-cyclopropylidene-1-(3,5-difluorophenyl)sulfonylpiperidine
CID 121187243
4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine
CID 121187246
1-(3,4-difluorophenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799661
1-(2-chloroethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
CID 63397139
4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 121187247
4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
CID 121187182
4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine
CID 121187227
4-cyclopropylidene-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 121187241
(3aS,6aR)-2-(3,4-difluorophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 173069403
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834597
4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 121187233

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylidene-1-(3,4-difluorophenyl)sulfonylpiperidine?
The IUPAC name of 4-cyclopropylidene-1-(3,4-difluorophenyl)sulfonylpiperidine (CID 121187202) is 4-cyclopropylidene-1-(3,4-difluorophenyl)sulfonylpiperidine.
What is the SMILES notation for 4-cyclopropylidene-1-(3,4-difluorophenyl)sulfonylpiperidine?
The canonical SMILES for 4-cyclopropylidene-1-(3,4-difluorophenyl)sulfonylpiperidine is O=S(=O)(c1ccc(F)c(F)c1)N1CCC(=C2CC2)CC1.
What is the InChIKey of 4-cyclopropylidene-1-(3,4-difluorophenyl)sulfonylpiperidine?
The InChIKey is OKDYGWOCZIEFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2S/c15-13-4-3-12(9-14(13)16)20(18,19)17-7-5-11(6-8-17)10-1-2-10/h3-4,9H,1-2,5-8H2.
What are the key properties of 4-cyclopropylidene-1-(3,4-difluorophenyl)sulfonylpiperidine?
4-cyclopropylidene-1-(3,4-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-(3,4-difluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 121187202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).