4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine

C15H16F3NO2S — CID 121187233

IUPAC4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(=C2CC2)CC1
InChIInChI=1S/C15H16F3NO2S/c16-15(17,18)13-2-1-3-14(10-13)22(20,21)19-8-6-12(7-9-19)11-4-5-11/h1-3,10H,4-9H2
InChIKeyREIMYYZAMLWZQW-UHFFFAOYSA-N
MW331.36 g/mol
LogP3.58
Rot. Bonds2

About 4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine

4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine (PubChem CID 121187233) has the molecular formula C15H16F3NO2S and a molecular weight of 331.36 g/mol. Its IUPAC name is 4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
PubChem CID121187233
Molecular FormulaC15H16F3NO2S
Molecular Weight331.36 g/mol
Exact Mass331.09
IUPAC Name4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(=C2CC2)CC1
InChIInChI=1S/C15H16F3NO2S/c16-15(17,18)13-2-1-3-14(10-13)22(20,21)19-8-6-12(7-9-19)11-4-5-11/h1-3,10H,4-9H2
InChIKeyREIMYYZAMLWZQW-UHFFFAOYSA-N
XLogP3.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 53.58
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-(trifluoromethyl)phenyl]sulfonylpiperidin-4-one
CID 10709847
1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 697906
4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
CID 121187182
1-(2,6-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 3701613
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 25243777
1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 166405977
1-(6-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 3836694
2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetic acid
CID 86656254
1-(2-chloroprop-2-enyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 78818186
2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8748449
cyclopropyl-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 8925087
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The IUPAC name of 4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine (CID 121187233) is 4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(=C2CC2)CC1.
What is the InChIKey of 4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The InChIKey is REIMYYZAMLWZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO2S/c16-15(17,18)13-2-1-3-14(10-13)22(20,21)19-8-6-12(7-9-19)11-4-5-11/h1-3,10H,4-9H2.
What are the key properties of 4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine has a molecular weight of 331.36 g/mol, XLogP of 3.58, 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-(trifluoromethyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 121187233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).