4-(2-piperidin-1-ylethylsulfanyl)oxan-2-one

C12H21NO2S — CID 121398329

IUPAC4-(2-piperidin-1-ylethylsulfanyl)oxan-2-one
SMILESO=C1CC(SCCN2CCCCC2)CCO1
InChIInChI=1S/C12H21NO2S/c14-12-10-11(4-8-15-12)16-9-7-13-5-2-1-3-6-13/h11H,1-10H2
InChIKeyGQVDAZHCHYCBHE-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.91
Rot. Bonds4

About 4-(2-piperidin-1-ylethylsulfanyl)oxan-2-one

4-(2-piperidin-1-ylethylsulfanyl)oxan-2-one (PubChem CID 121398329) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 4-(2-piperidin-1-ylethylsulfanyl)oxan-2-one.

Molecular Properties

Compound Name4-(2-piperidin-1-ylethylsulfanyl)oxan-2-one
PubChem CID121398329
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name4-(2-piperidin-1-ylethylsulfanyl)oxan-2-one
SMILESO=C1CC(SCCN2CCCCC2)CCO1
InChIInChI=1S/C12H21NO2S/c14-12-10-11(4-8-15-12)16-9-7-13-5-2-1-3-6-13/h11H,1-10H2
InChIKeyGQVDAZHCHYCBHE-UHFFFAOYSA-N
XLogP1.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-1-ylethylsulfanyl)oxan-2-one?
The IUPAC name of 4-(2-piperidin-1-ylethylsulfanyl)oxan-2-one (CID 121398329) is 4-(2-piperidin-1-ylethylsulfanyl)oxan-2-one.
What is the SMILES notation for 4-(2-piperidin-1-ylethylsulfanyl)oxan-2-one?
The canonical SMILES for 4-(2-piperidin-1-ylethylsulfanyl)oxan-2-one is O=C1CC(SCCN2CCCCC2)CCO1.
What is the InChIKey of 4-(2-piperidin-1-ylethylsulfanyl)oxan-2-one?
The InChIKey is GQVDAZHCHYCBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c14-12-10-11(4-8-15-12)16-9-7-13-5-2-1-3-6-13/h11H,1-10H2.
What are the key properties of 4-(2-piperidin-1-ylethylsulfanyl)oxan-2-one?
4-(2-piperidin-1-ylethylsulfanyl)oxan-2-one has a molecular weight of 243.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-ylethylsulfanyl)oxan-2-one is sourced from PubChem (CID 121398329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).