5-phenyl-3,4-dihydro-2H-1,4-thiazine-3-carboxylic acid

C11H11NO2S — CID 118707255

IUPAC5-phenyl-3,4-dihydro-2H-1,4-thiazine-3-carboxylic acid
SMILESO=C(O)C1CSC=C(c2ccccc2)N1
InChIInChI=1S/C11H11NO2S/c13-11(14)10-7-15-6-9(12-10)8-4-2-1-3-5-8/h1-6,10,12H,7H2,(H,13,14)
InChIKeyRKVOHHBLVOQRIJ-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.77
Rot. Bonds2

About 5-phenyl-3,4-dihydro-2H-1,4-thiazine-3-carboxylic acid

5-phenyl-3,4-dihydro-2H-1,4-thiazine-3-carboxylic acid (PubChem CID 118707255) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-phenyl-3,4-dihydro-2H-1,4-thiazine-3-carboxylic acid.

Molecular Properties

Compound Name5-phenyl-3,4-dihydro-2H-1,4-thiazine-3-carboxylic acid
PubChem CID118707255
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name5-phenyl-3,4-dihydro-2H-1,4-thiazine-3-carboxylic acid
SMILESO=C(O)C1CSC=C(c2ccccc2)N1
InChIInChI=1S/C11H11NO2S/c13-11(14)10-7-15-6-9(12-10)8-4-2-1-3-5-8/h1-6,10,12H,7H2,(H,13,14)
InChIKeyRKVOHHBLVOQRIJ-UHFFFAOYSA-N
XLogP1.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3,4-dihydro-2H-1,4-thiazine-3-carboxylic acid?
The IUPAC name of 5-phenyl-3,4-dihydro-2H-1,4-thiazine-3-carboxylic acid (CID 118707255) is 5-phenyl-3,4-dihydro-2H-1,4-thiazine-3-carboxylic acid.
What is the SMILES notation for 5-phenyl-3,4-dihydro-2H-1,4-thiazine-3-carboxylic acid?
The canonical SMILES for 5-phenyl-3,4-dihydro-2H-1,4-thiazine-3-carboxylic acid is O=C(O)C1CSC=C(c2ccccc2)N1.
What is the InChIKey of 5-phenyl-3,4-dihydro-2H-1,4-thiazine-3-carboxylic acid?
The InChIKey is RKVOHHBLVOQRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c13-11(14)10-7-15-6-9(12-10)8-4-2-1-3-5-8/h1-6,10,12H,7H2,(H,13,14).
What are the key properties of 5-phenyl-3,4-dihydro-2H-1,4-thiazine-3-carboxylic acid?
5-phenyl-3,4-dihydro-2H-1,4-thiazine-3-carboxylic acid has a molecular weight of 221.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3,4-dihydro-2H-1,4-thiazine-3-carboxylic acid is sourced from PubChem (CID 118707255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).