1-(4-butylphenyl)sulfonylpiperidin-4-one

C15H21NO3S — CID 59565035

IUPAC1-(4-butylphenyl)sulfonylpiperidin-4-one
SMILESCCCCc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C15H21NO3S/c1-2-3-4-13-5-7-15(8-6-13)20(18,19)16-11-9-14(17)10-12-16/h5-8H,2-4,9-12H2,1H3
InChIKeyBBGKCMCIQYPMAH-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.38
Rot. Bonds5

About 1-(4-butylphenyl)sulfonylpiperidin-4-one

1-(4-butylphenyl)sulfonylpiperidin-4-one (PubChem CID 59565035) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-(4-butylphenyl)sulfonylpiperidin-4-one.

Molecular Properties

Compound Name1-(4-butylphenyl)sulfonylpiperidin-4-one
PubChem CID59565035
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-(4-butylphenyl)sulfonylpiperidin-4-one
SMILESCCCCc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C15H21NO3S/c1-2-3-4-13-5-7-15(8-6-13)20(18,19)16-11-9-14(17)10-12-16/h5-8H,2-4,9-12H2,1H3
InChIKeyBBGKCMCIQYPMAH-UHFFFAOYSA-N
XLogP2.38
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377884
1-(4-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 19684732
4-(4-hexylphenyl)sulfonylmorpholine
CID 84557725
methyl 3-[4-(4-oxopiperidin-1-yl)sulfonylphenyl]propanoate
CID 24827910
1-(4-butylphenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 3816431
9-(4-butylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3777515
1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine
CID 124779418
N-[[4-(4-oxopiperidin-1-yl)sulfonylphenyl]methyl]acetamide
CID 59772975
ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one
CID 143985374
[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 25237055
2-[4-(4-hexylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 84558276

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)sulfonylpiperidin-4-one?
The IUPAC name of 1-(4-butylphenyl)sulfonylpiperidin-4-one (CID 59565035) is 1-(4-butylphenyl)sulfonylpiperidin-4-one.
What is the SMILES notation for 1-(4-butylphenyl)sulfonylpiperidin-4-one?
The canonical SMILES for 1-(4-butylphenyl)sulfonylpiperidin-4-one is CCCCc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1.
What is the InChIKey of 1-(4-butylphenyl)sulfonylpiperidin-4-one?
The InChIKey is BBGKCMCIQYPMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-2-3-4-13-5-7-15(8-6-13)20(18,19)16-11-9-14(17)10-12-16/h5-8H,2-4,9-12H2,1H3.
What are the key properties of 1-(4-butylphenyl)sulfonylpiperidin-4-one?
1-(4-butylphenyl)sulfonylpiperidin-4-one has a molecular weight of 295.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)sulfonylpiperidin-4-one is sourced from PubChem (CID 59565035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).