2-(3-phenoxyphenyl)-1,3-thiazinane

C16H17NOS — CID 66219243

IUPAC2-(3-phenoxyphenyl)-1,3-thiazinane
SMILESc1ccc(Oc2cccc(C3NCCCS3)c2)cc1
InChIInChI=1S/C16H17NOS/c1-2-7-14(8-3-1)18-15-9-4-6-13(12-15)16-17-10-5-11-19-16/h1-4,6-9,12,16-17H,5,10-11H2
InChIKeyLFJBTSBZGRXJJN-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.20
Rot. Bonds3

About 2-(3-phenoxyphenyl)-1,3-thiazinane

2-(3-phenoxyphenyl)-1,3-thiazinane (PubChem CID 66219243) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(3-phenoxyphenyl)-1,3-thiazinane.

Molecular Properties

Compound Name2-(3-phenoxyphenyl)-1,3-thiazinane
PubChem CID66219243
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC Name2-(3-phenoxyphenyl)-1,3-thiazinane
SMILESc1ccc(Oc2cccc(C3NCCCS3)c2)cc1
InChIInChI=1S/C16H17NOS/c1-2-7-14(8-3-1)18-15-9-4-6-13(12-15)16-17-10-5-11-19-16/h1-4,6-9,12,16-17H,5,10-11H2
InChIKeyLFJBTSBZGRXJJN-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxyphenyl)-1,3-thiazinane?
The IUPAC name of 2-(3-phenoxyphenyl)-1,3-thiazinane (CID 66219243) is 2-(3-phenoxyphenyl)-1,3-thiazinane.
What is the SMILES notation for 2-(3-phenoxyphenyl)-1,3-thiazinane?
The canonical SMILES for 2-(3-phenoxyphenyl)-1,3-thiazinane is c1ccc(Oc2cccc(C3NCCCS3)c2)cc1.
What is the InChIKey of 2-(3-phenoxyphenyl)-1,3-thiazinane?
The InChIKey is LFJBTSBZGRXJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-2-7-14(8-3-1)18-15-9-4-6-13(12-15)16-17-10-5-11-19-16/h1-4,6-9,12,16-17H,5,10-11H2.
What are the key properties of 2-(3-phenoxyphenyl)-1,3-thiazinane?
2-(3-phenoxyphenyl)-1,3-thiazinane has a molecular weight of 271.39 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxyphenyl)-1,3-thiazinane is sourced from PubChem (CID 66219243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).