4-(2-oxo-2-piperazin-1-ylethyl)-1,4-thiazin-3-one

C10H15N3O2S — CID 82511484

IUPAC4-(2-oxo-2-piperazin-1-ylethyl)-1,4-thiazin-3-one
SMILESO=C1CSC=CN1CC(=O)N1CCNCC1
InChIInChI=1S/C10H15N3O2S/c14-9(12-3-1-11-2-4-12)7-13-5-6-16-8-10(13)15/h5-6,11H,1-4,7-8H2
InChIKeyNGAMOAWJYHKXLT-UHFFFAOYSA-N
MW241.32 g/mol
LogP-0.54
Rot. Bonds2

About 4-(2-oxo-2-piperazin-1-ylethyl)-1,4-thiazin-3-one

4-(2-oxo-2-piperazin-1-ylethyl)-1,4-thiazin-3-one (PubChem CID 82511484) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-(2-oxo-2-piperazin-1-ylethyl)-1,4-thiazin-3-one.

Molecular Properties

Compound Name4-(2-oxo-2-piperazin-1-ylethyl)-1,4-thiazin-3-one
PubChem CID82511484
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-(2-oxo-2-piperazin-1-ylethyl)-1,4-thiazin-3-one
SMILESO=C1CSC=CN1CC(=O)N1CCNCC1
InChIInChI=1S/C10H15N3O2S/c14-9(12-3-1-11-2-4-12)7-13-5-6-16-8-10(13)15/h5-6,11H,1-4,7-8H2
InChIKeyNGAMOAWJYHKXLT-UHFFFAOYSA-N
XLogP-0.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-piperazin-1-ylethyl)-1,4-thiazin-3-one?
The IUPAC name of 4-(2-oxo-2-piperazin-1-ylethyl)-1,4-thiazin-3-one (CID 82511484) is 4-(2-oxo-2-piperazin-1-ylethyl)-1,4-thiazin-3-one.
What is the SMILES notation for 4-(2-oxo-2-piperazin-1-ylethyl)-1,4-thiazin-3-one?
The canonical SMILES for 4-(2-oxo-2-piperazin-1-ylethyl)-1,4-thiazin-3-one is O=C1CSC=CN1CC(=O)N1CCNCC1.
What is the InChIKey of 4-(2-oxo-2-piperazin-1-ylethyl)-1,4-thiazin-3-one?
The InChIKey is NGAMOAWJYHKXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c14-9(12-3-1-11-2-4-12)7-13-5-6-16-8-10(13)15/h5-6,11H,1-4,7-8H2.
What are the key properties of 4-(2-oxo-2-piperazin-1-ylethyl)-1,4-thiazin-3-one?
4-(2-oxo-2-piperazin-1-ylethyl)-1,4-thiazin-3-one has a molecular weight of 241.32 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-piperazin-1-ylethyl)-1,4-thiazin-3-one is sourced from PubChem (CID 82511484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).