4-ethylidene-1-(4-methylphenyl)sulfonylpiperidine

C14H19NO2S — CID 44723360

IUPAC4-ethylidene-1-(4-methylphenyl)sulfonylpiperidine
SMILESCC=C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C14H19NO2S/c1-3-13-8-10-15(11-9-13)18(16,17)14-6-4-12(2)5-7-14/h3-7H,8-11H2,1-2H3
InChIKeyFJUPFVPJNKNCHK-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.73
Rot. Bonds2

About 4-ethylidene-1-(4-methylphenyl)sulfonylpiperidine

4-ethylidene-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 44723360) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-ethylidene-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-ethylidene-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID44723360
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name4-ethylidene-1-(4-methylphenyl)sulfonylpiperidine
SMILESCC=C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C14H19NO2S/c1-3-13-8-10-15(11-9-13)18(16,17)14-6-4-12(2)5-7-14/h3-7H,8-11H2,1-2H3
InChIKeyFJUPFVPJNKNCHK-UHFFFAOYSA-N
XLogP2.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.73
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

4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 121187247
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
4-methyl-1-(4-methylphenyl)sulfonyl-2,3,6,7-tetrahydroazepine
CID 67224813
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
4-(4-methylphenyl)sulfonylthiomorpholine
CID 4068383
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
1-(4-methylphenyl)sulfonyl-4-prop-1-enylpiperidine
CID 134861906
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
CID 889439
1-(4-methylphenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 22772839
1-(4-methylphenyl)sulfonyl-4-propan-2-ylpiperazin-4-ium
CID 4743157

Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-ethylidene-1-(4-methylphenyl)sulfonylpiperidine (CID 44723360) is 4-ethylidene-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-ethylidene-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-ethylidene-1-(4-methylphenyl)sulfonylpiperidine is CC=C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 4-ethylidene-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is FJUPFVPJNKNCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-3-13-8-10-15(11-9-13)18(16,17)14-6-4-12(2)5-7-14/h3-7H,8-11H2,1-2H3.
What are the key properties of 4-ethylidene-1-(4-methylphenyl)sulfonylpiperidine?
4-ethylidene-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 265.38 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 44723360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).