2-benzyl-1,2-benzothiazine

C15H13NS — CID 154184832

IUPAC2-benzyl-1,2-benzothiazine
SMILESC1=CN(Cc2ccccc2)Sc2ccccc21
InChIInChI=1S/C15H13NS/c1-2-6-13(7-3-1)12-16-11-10-14-8-4-5-9-15(14)17-16/h1-11H,12H2
InChIKeyJSZPDZKGUIQFPF-UHFFFAOYSA-N
MW239.34 g/mol
LogP4.18
Rot. Bonds2

About 2-benzyl-1,2-benzothiazine

2-benzyl-1,2-benzothiazine (PubChem CID 154184832) has the molecular formula C15H13NS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-benzyl-1,2-benzothiazine.

Molecular Properties

Compound Name2-benzyl-1,2-benzothiazine
PubChem CID154184832
Molecular FormulaC15H13NS
Molecular Weight239.34 g/mol
Exact Mass239.08
IUPAC Name2-benzyl-1,2-benzothiazine
SMILESC1=CN(Cc2ccccc2)Sc2ccccc21
InChIInChI=1S/C15H13NS/c1-2-6-13(7-3-1)12-16-11-10-14-8-4-5-9-15(14)17-16/h1-11H,12H2
InChIKeyJSZPDZKGUIQFPF-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2-benzothiazine-2-carbaldehyde
CID 18929636
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2-benzyl-3,4-dihydro-1,2,4-benzothiadiazine
CID 154486612
[phenyl(tritio)methyl]benzene
CID 102189044
3-benzyl-2H-1,3-benzothiazole
CID 5080554
3-benzyl-2H-1,3-benzothiazole;hydrobromide
CID 173117012
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1,3-dibenzyl-2H-imidazol-2-ide;gold(1+);chloride
CID 54576759
1-benzyl-2,5-dichloropyrrole
CID 12713084
chloro(2-phenylethyl)alumane
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CID 5045916

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,2-benzothiazine?
The IUPAC name of 2-benzyl-1,2-benzothiazine (CID 154184832) is 2-benzyl-1,2-benzothiazine.
What is the SMILES notation for 2-benzyl-1,2-benzothiazine?
The canonical SMILES for 2-benzyl-1,2-benzothiazine is C1=CN(Cc2ccccc2)Sc2ccccc21.
What is the InChIKey of 2-benzyl-1,2-benzothiazine?
The InChIKey is JSZPDZKGUIQFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS/c1-2-6-13(7-3-1)12-16-11-10-14-8-4-5-9-15(14)17-16/h1-11H,12H2.
What are the key properties of 2-benzyl-1,2-benzothiazine?
2-benzyl-1,2-benzothiazine has a molecular weight of 239.34 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,2-benzothiazine is sourced from PubChem (CID 154184832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).