4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine

C15H19NO2S — CID 121187247

IUPAC4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(=C3CC3)CC2)cc1
InChIInChI=1S/C15H19NO2S/c1-12-2-6-15(7-3-12)19(17,18)16-10-8-14(9-11-16)13-4-5-13/h2-3,6-7H,4-5,8-11H2,1H3
InChIKeyXIXPNQHRLMBCRY-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.87
Rot. Bonds2

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

4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 121187247) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID121187247
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(=C3CC3)CC2)cc1
InChIInChI=1S/C15H19NO2S/c1-12-2-6-15(7-3-12)19(17,18)16-10-8-14(9-11-16)13-4-5-13/h2-3,6-7H,4-5,8-11H2,1H3
InChIKeyXIXPNQHRLMBCRY-UHFFFAOYSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.87
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-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
4-methyl-1-(4-methylphenyl)sulfonyl-2,3,6,7-tetrahydroazepine
CID 67224813
4-ethylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 44723360
4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
CID 121187182
1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine
CID 121187216
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-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 22772839
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
CID 889439

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine (CID 121187247) is 4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCC(=C3CC3)CC2)cc1.
What is the InChIKey of 4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is XIXPNQHRLMBCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-12-2-6-15(7-3-12)19(17,18)16-10-8-14(9-11-16)13-4-5-13/h2-3,6-7H,4-5,8-11H2,1H3.
What are the key properties of 4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine?
4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 277.39 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 121187247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).