3-(benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one

C16H23NO3S — CID 6459212

IUPAC3-(benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCCCN1C(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H23NO3S/c1-2-14-8-6-7-12-17(14)16(18)11-13-21(19,20)15-9-4-3-5-10-15/h3-5,9-10,14H,2,6-8,11-13H2,1H3
InChIKeyCWXJJHWLPMEXKW-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.64
Rot. Bonds5

About 3-(benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one

3-(benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one (PubChem CID 6459212) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one
PubChem CID6459212
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name3-(benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCCCN1C(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H23NO3S/c1-2-14-8-6-7-12-17(14)16(18)11-13-21(19,20)15-9-4-3-5-10-15/h3-5,9-10,14H,2,6-8,11-13H2,1H3
InChIKeyCWXJJHWLPMEXKW-UHFFFAOYSA-N
XLogP2.64
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one (CID 6459212) is 3-(benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one is CCC1CCCCN1C(=O)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one?
The InChIKey is CWXJJHWLPMEXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-2-14-8-6-7-12-17(14)16(18)11-13-21(19,20)15-9-4-3-5-10-15/h3-5,9-10,14H,2,6-8,11-13H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one?
3-(benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one has a molecular weight of 309.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 6459212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).