6-(1-oxo-1,4-thiazinan-2-yl)piperidin-2-one

C9H16N2O2S — CID 167009754

IUPAC6-(1-oxo-1,4-thiazinan-2-yl)piperidin-2-one
SMILESO=C1CCCC(C2CNCCS2=O)N1
InChIInChI=1S/C9H16N2O2S/c12-9-3-1-2-7(11-9)8-6-10-4-5-14(8)13/h7-8,10H,1-6H2,(H,11,12)
InChIKeyGZOQNEZXQZHYAR-UHFFFAOYSA-N
MW216.31 g/mol
LogP-0.62
Rot. Bonds1

About 6-(1-oxo-1,4-thiazinan-2-yl)piperidin-2-one

6-(1-oxo-1,4-thiazinan-2-yl)piperidin-2-one (PubChem CID 167009754) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 6-(1-oxo-1,4-thiazinan-2-yl)piperidin-2-one.

Molecular Properties

Compound Name6-(1-oxo-1,4-thiazinan-2-yl)piperidin-2-one
PubChem CID167009754
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name6-(1-oxo-1,4-thiazinan-2-yl)piperidin-2-one
SMILESO=C1CCCC(C2CNCCS2=O)N1
InChIInChI=1S/C9H16N2O2S/c12-9-3-1-2-7(11-9)8-6-10-4-5-14(8)13/h7-8,10H,1-6H2,(H,11,12)
InChIKeyGZOQNEZXQZHYAR-UHFFFAOYSA-N
XLogP-0.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-oxo-1,4-thiazinan-2-yl)piperidin-2-one?
The IUPAC name of 6-(1-oxo-1,4-thiazinan-2-yl)piperidin-2-one (CID 167009754) is 6-(1-oxo-1,4-thiazinan-2-yl)piperidin-2-one.
What is the SMILES notation for 6-(1-oxo-1,4-thiazinan-2-yl)piperidin-2-one?
The canonical SMILES for 6-(1-oxo-1,4-thiazinan-2-yl)piperidin-2-one is O=C1CCCC(C2CNCCS2=O)N1.
What is the InChIKey of 6-(1-oxo-1,4-thiazinan-2-yl)piperidin-2-one?
The InChIKey is GZOQNEZXQZHYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c12-9-3-1-2-7(11-9)8-6-10-4-5-14(8)13/h7-8,10H,1-6H2,(H,11,12).
What are the key properties of 6-(1-oxo-1,4-thiazinan-2-yl)piperidin-2-one?
6-(1-oxo-1,4-thiazinan-2-yl)piperidin-2-one has a molecular weight of 216.31 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-oxo-1,4-thiazinan-2-yl)piperidin-2-one is sourced from PubChem (CID 167009754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).