1-phenyl-3-thiomorpholin-4-ylpyrazin-2-one

C14H15N3OS — CID 139023059

IUPAC1-phenyl-3-thiomorpholin-4-ylpyrazin-2-one
SMILESO=c1c(N2CCSCC2)nccn1-c1ccccc1
InChIInChI=1S/C14H15N3OS/c18-14-13(16-8-10-19-11-9-16)15-6-7-17(14)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyLOLVRLKKSJLSAS-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.79
Rot. Bonds2

About 1-phenyl-3-thiomorpholin-4-ylpyrazin-2-one

1-phenyl-3-thiomorpholin-4-ylpyrazin-2-one (PubChem CID 139023059) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-phenyl-3-thiomorpholin-4-ylpyrazin-2-one.

Molecular Properties

Compound Name1-phenyl-3-thiomorpholin-4-ylpyrazin-2-one
PubChem CID139023059
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-phenyl-3-thiomorpholin-4-ylpyrazin-2-one
SMILESO=c1c(N2CCSCC2)nccn1-c1ccccc1
InChIInChI=1S/C14H15N3OS/c18-14-13(16-8-10-19-11-9-16)15-6-7-17(14)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyLOLVRLKKSJLSAS-UHFFFAOYSA-N
XLogP1.79
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-thiomorpholin-4-ylpyrazin-2-one?
The IUPAC name of 1-phenyl-3-thiomorpholin-4-ylpyrazin-2-one (CID 139023059) is 1-phenyl-3-thiomorpholin-4-ylpyrazin-2-one.
What is the SMILES notation for 1-phenyl-3-thiomorpholin-4-ylpyrazin-2-one?
The canonical SMILES for 1-phenyl-3-thiomorpholin-4-ylpyrazin-2-one is O=c1c(N2CCSCC2)nccn1-c1ccccc1.
What is the InChIKey of 1-phenyl-3-thiomorpholin-4-ylpyrazin-2-one?
The InChIKey is LOLVRLKKSJLSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-14-13(16-8-10-19-11-9-16)15-6-7-17(14)12-4-2-1-3-5-12/h1-7H,8-11H2.
What are the key properties of 1-phenyl-3-thiomorpholin-4-ylpyrazin-2-one?
1-phenyl-3-thiomorpholin-4-ylpyrazin-2-one has a molecular weight of 273.36 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-thiomorpholin-4-ylpyrazin-2-one is sourced from PubChem (CID 139023059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).