8-phenyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[2,1-b][1,3]thiazin-6-one

C14H17NOS — CID 15533142

IUPAC8-phenyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[2,1-b][1,3]thiazin-6-one
SMILESO=C1CC(c2ccccc2)CC2SCCCN12
InChIInChI=1S/C14H17NOS/c16-13-9-12(11-5-2-1-3-6-11)10-14-15(13)7-4-8-17-14/h1-3,5-6,12,14H,4,7-10H2
InChIKeyNRPHZOCYJCOTIF-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.86
Rot. Bonds1

About 8-phenyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[2,1-b][1,3]thiazin-6-one

8-phenyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[2,1-b][1,3]thiazin-6-one (PubChem CID 15533142) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 8-phenyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name8-phenyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[2,1-b][1,3]thiazin-6-one
PubChem CID15533142
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name8-phenyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[2,1-b][1,3]thiazin-6-one
SMILESO=C1CC(c2ccccc2)CC2SCCCN12
InChIInChI=1S/C14H17NOS/c16-13-9-12(11-5-2-1-3-6-11)10-14-15(13)7-4-8-17-14/h1-3,5-6,12,14H,4,7-10H2
InChIKeyNRPHZOCYJCOTIF-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-phenyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[2,1-b][1,3]thiazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 8-phenyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[2,1-b][1,3]thiazin-6-one (CID 15533142) is 8-phenyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 8-phenyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 8-phenyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[2,1-b][1,3]thiazin-6-one is O=C1CC(c2ccccc2)CC2SCCCN12.
What is the InChIKey of 8-phenyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[2,1-b][1,3]thiazin-6-one?
The InChIKey is NRPHZOCYJCOTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c16-13-9-12(11-5-2-1-3-6-11)10-14-15(13)7-4-8-17-14/h1-3,5-6,12,14H,4,7-10H2.
What are the key properties of 8-phenyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[2,1-b][1,3]thiazin-6-one?
8-phenyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[2,1-b][1,3]thiazin-6-one has a molecular weight of 247.36 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-3,4,7,8,9,9a-hexahydro-2H-pyrido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 15533142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).