2-(2-methylsulfonylphenyl)-1-piperidin-4-ylethanone

C14H19NO3S — CID 22248272

IUPAC2-(2-methylsulfonylphenyl)-1-piperidin-4-ylethanone
SMILESCS(=O)(=O)c1ccccc1CC(=O)C1CCNCC1
InChIInChI=1S/C14H19NO3S/c1-19(17,18)14-5-3-2-4-12(14)10-13(16)11-6-8-15-9-7-11/h2-5,11,15H,6-10H2,1H3
InChIKeyOBTISYQYHCBYAU-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.20
Rot. Bonds4

About 2-(2-methylsulfonylphenyl)-1-piperidin-4-ylethanone

2-(2-methylsulfonylphenyl)-1-piperidin-4-ylethanone (PubChem CID 22248272) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(2-methylsulfonylphenyl)-1-piperidin-4-ylethanone.

Molecular Properties

Compound Name2-(2-methylsulfonylphenyl)-1-piperidin-4-ylethanone
PubChem CID22248272
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-(2-methylsulfonylphenyl)-1-piperidin-4-ylethanone
SMILESCS(=O)(=O)c1ccccc1CC(=O)C1CCNCC1
InChIInChI=1S/C14H19NO3S/c1-19(17,18)14-5-3-2-4-12(14)10-13(16)11-6-8-15-9-7-11/h2-5,11,15H,6-10H2,1H3
InChIKeyOBTISYQYHCBYAU-UHFFFAOYSA-N
XLogP1.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-oxo-2-piperidin-4-ylethyl)phenyl]methanesulfinic acid
CID 174479438
N-cyclopropyl-2-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide
CID 63351840
N-methyl-2-(2-methylsulfonylphenyl)acetamide
CID 110487093
2-(4-methylphenyl)-1-piperidin-4-ylethanone
CID 82079035
1-piperidin-4-yl-2-(2-pyridin-3-ylphenyl)ethanone
CID 22248581
N-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110478158
N,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide
CID 110436884
1-cyclopropyl-2-(2-methylphenyl)ethanone
CID 39236490
2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone
CID 114863179
2-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanone
CID 116547696
2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide
CID 119450814
2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol
CID 117426876

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylphenyl)-1-piperidin-4-ylethanone?
The IUPAC name of 2-(2-methylsulfonylphenyl)-1-piperidin-4-ylethanone (CID 22248272) is 2-(2-methylsulfonylphenyl)-1-piperidin-4-ylethanone.
What is the SMILES notation for 2-(2-methylsulfonylphenyl)-1-piperidin-4-ylethanone?
The canonical SMILES for 2-(2-methylsulfonylphenyl)-1-piperidin-4-ylethanone is CS(=O)(=O)c1ccccc1CC(=O)C1CCNCC1.
What is the InChIKey of 2-(2-methylsulfonylphenyl)-1-piperidin-4-ylethanone?
The InChIKey is OBTISYQYHCBYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-19(17,18)14-5-3-2-4-12(14)10-13(16)11-6-8-15-9-7-11/h2-5,11,15H,6-10H2,1H3.
What are the key properties of 2-(2-methylsulfonylphenyl)-1-piperidin-4-ylethanone?
2-(2-methylsulfonylphenyl)-1-piperidin-4-ylethanone has a molecular weight of 281.38 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylphenyl)-1-piperidin-4-ylethanone is sourced from PubChem (CID 22248272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).