1-piperidin-1-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone

C16H23NO3S — CID 16838371

IUPAC1-piperidin-1-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H23NO3S/c1-13(2)21(19,20)15-8-6-14(7-9-15)12-16(18)17-10-4-3-5-11-17/h6-9,13H,3-5,10-12H2,1-2H3
InChIKeyGSFQLSKIHIWPFU-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.42
Rot. Bonds4

About 1-piperidin-1-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone

1-piperidin-1-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone (PubChem CID 16838371) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone
PubChem CID16838371
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name1-piperidin-1-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H23NO3S/c1-13(2)21(19,20)15-8-6-14(7-9-15)12-16(18)17-10-4-3-5-11-17/h6-9,13H,3-5,10-12H2,1-2H3
InChIKeyGSFQLSKIHIWPFU-UHFFFAOYSA-N
XLogP2.42
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone (CID 16838371) is 1-piperidin-1-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone is CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-piperidin-1-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone?
The InChIKey is GSFQLSKIHIWPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-13(2)21(19,20)15-8-6-14(7-9-15)12-16(18)17-10-4-3-5-11-17/h6-9,13H,3-5,10-12H2,1-2H3.
What are the key properties of 1-piperidin-1-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone?
1-piperidin-1-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone has a molecular weight of 309.43 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 16838371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).