2-(benzenesulfonyl)-1-piperidin-1-ylethanone

C13H17NO3S — CID 975540

IUPAC2-(benzenesulfonyl)-1-piperidin-1-ylethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C13H17NO3S/c15-13(14-9-5-2-6-10-14)11-18(16,17)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyCOCUWHJBPFFBHM-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.47
Rot. Bonds3

About 2-(benzenesulfonyl)-1-piperidin-1-ylethanone

2-(benzenesulfonyl)-1-piperidin-1-ylethanone (PubChem CID 975540) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-piperidin-1-ylethanone
PubChem CID975540
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2-(benzenesulfonyl)-1-piperidin-1-ylethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C13H17NO3S/c15-13(14-9-5-2-6-10-14)11-18(16,17)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyCOCUWHJBPFFBHM-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(benzenesulfonyl)-1-piperidin-1-ylethanone (CID 975540) is 2-(benzenesulfonyl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(benzenesulfonyl)-1-piperidin-1-ylethanone is O=C(CS(=O)(=O)c1ccccc1)N1CCCCC1.
What is the InChIKey of 2-(benzenesulfonyl)-1-piperidin-1-ylethanone?
The InChIKey is COCUWHJBPFFBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-13(14-9-5-2-6-10-14)11-18(16,17)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2.
What are the key properties of 2-(benzenesulfonyl)-1-piperidin-1-ylethanone?
2-(benzenesulfonyl)-1-piperidin-1-ylethanone has a molecular weight of 267.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 975540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).