3-(2-propylsulfonylethyl)piperidin-4-one

C10H19NO3S — CID 106727092

IUPAC3-(2-propylsulfonylethyl)piperidin-4-one
SMILESCCCS(=O)(=O)CCC1CNCCC1=O
InChIInChI=1S/C10H19NO3S/c1-2-6-15(13,14)7-4-9-8-11-5-3-10(9)12/h9,11H,2-8H2,1H3
InChIKeyCGIKEUMMQYMKQF-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.38
Rot. Bonds5

About 3-(2-propylsulfonylethyl)piperidin-4-one

3-(2-propylsulfonylethyl)piperidin-4-one (PubChem CID 106727092) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 3-(2-propylsulfonylethyl)piperidin-4-one.

Molecular Properties

Compound Name3-(2-propylsulfonylethyl)piperidin-4-one
PubChem CID106727092
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name3-(2-propylsulfonylethyl)piperidin-4-one
SMILESCCCS(=O)(=O)CCC1CNCCC1=O
InChIInChI=1S/C10H19NO3S/c1-2-6-15(13,14)7-4-9-8-11-5-3-10(9)12/h9,11H,2-8H2,1H3
InChIKeyCGIKEUMMQYMKQF-UHFFFAOYSA-N
XLogP0.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propylsulfonylethyl)piperidin-4-one?
The IUPAC name of 3-(2-propylsulfonylethyl)piperidin-4-one (CID 106727092) is 3-(2-propylsulfonylethyl)piperidin-4-one.
What is the SMILES notation for 3-(2-propylsulfonylethyl)piperidin-4-one?
The canonical SMILES for 3-(2-propylsulfonylethyl)piperidin-4-one is CCCS(=O)(=O)CCC1CNCCC1=O.
What is the InChIKey of 3-(2-propylsulfonylethyl)piperidin-4-one?
The InChIKey is CGIKEUMMQYMKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-2-6-15(13,14)7-4-9-8-11-5-3-10(9)12/h9,11H,2-8H2,1H3.
What are the key properties of 3-(2-propylsulfonylethyl)piperidin-4-one?
3-(2-propylsulfonylethyl)piperidin-4-one has a molecular weight of 233.33 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propylsulfonylethyl)piperidin-4-one is sourced from PubChem (CID 106727092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).