1-(4-piperidin-1-ylsulfonylphenyl)ethanone

C13H17NO3S — CID 750364

IUPAC1-(4-piperidin-1-ylsulfonylphenyl)ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C13H17NO3S/c1-11(15)12-5-7-13(8-6-12)18(16,17)14-9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
InChIKeyMIBYJBHDWBZZDA-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.06
Rot. Bonds3

About 1-(4-piperidin-1-ylsulfonylphenyl)ethanone

1-(4-piperidin-1-ylsulfonylphenyl)ethanone (PubChem CID 750364) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-piperidin-1-ylsulfonylphenyl)ethanone
PubChem CID750364
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name1-(4-piperidin-1-ylsulfonylphenyl)ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C13H17NO3S/c1-11(15)12-5-7-13(8-6-12)18(16,17)14-9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
InChIKeyMIBYJBHDWBZZDA-UHFFFAOYSA-N
XLogP2.06
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-piperidin-1-ylsulfonylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The IUPAC name of 1-(4-piperidin-1-ylsulfonylphenyl)ethanone (CID 750364) is 1-(4-piperidin-1-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The canonical SMILES for 1-(4-piperidin-1-ylsulfonylphenyl)ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The InChIKey is MIBYJBHDWBZZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-11(15)12-5-7-13(8-6-12)18(16,17)14-9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3.
What are the key properties of 1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
1-(4-piperidin-1-ylsulfonylphenyl)ethanone has a molecular weight of 267.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 750364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).