dimethyl 4-methyl-2-phenyl-4H-1,3-thiazine-5,6-dicarboxylate

C15H15NO4S — CID 15891844

IUPACdimethyl 4-methyl-2-phenyl-4H-1,3-thiazine-5,6-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(C)N=C(c2ccccc2)S1
InChIInChI=1S/C15H15NO4S/c1-9-11(14(17)19-2)12(15(18)20-3)21-13(16-9)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyRXPXEBMEFYJCBE-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.17
Rot. Bonds3

About dimethyl 4-methyl-2-phenyl-4H-1,3-thiazine-5,6-dicarboxylate

dimethyl 4-methyl-2-phenyl-4H-1,3-thiazine-5,6-dicarboxylate (PubChem CID 15891844) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is dimethyl 4-methyl-2-phenyl-4H-1,3-thiazine-5,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-methyl-2-phenyl-4H-1,3-thiazine-5,6-dicarboxylate
PubChem CID15891844
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Namedimethyl 4-methyl-2-phenyl-4H-1,3-thiazine-5,6-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(C)N=C(c2ccccc2)S1
InChIInChI=1S/C15H15NO4S/c1-9-11(14(17)19-2)12(15(18)20-3)21-13(16-9)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyRXPXEBMEFYJCBE-UHFFFAOYSA-N
XLogP2.17
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-methyl-2-phenyl-4H-1,3-thiazine-5,6-dicarboxylate?
The IUPAC name of dimethyl 4-methyl-2-phenyl-4H-1,3-thiazine-5,6-dicarboxylate (CID 15891844) is dimethyl 4-methyl-2-phenyl-4H-1,3-thiazine-5,6-dicarboxylate.
What is the SMILES notation for dimethyl 4-methyl-2-phenyl-4H-1,3-thiazine-5,6-dicarboxylate?
The canonical SMILES for dimethyl 4-methyl-2-phenyl-4H-1,3-thiazine-5,6-dicarboxylate is COC(=O)C1=C(C(=O)OC)C(C)N=C(c2ccccc2)S1.
What is the InChIKey of dimethyl 4-methyl-2-phenyl-4H-1,3-thiazine-5,6-dicarboxylate?
The InChIKey is RXPXEBMEFYJCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-9-11(14(17)19-2)12(15(18)20-3)21-13(16-9)10-7-5-4-6-8-10/h4-9H,1-3H3.
What are the key properties of dimethyl 4-methyl-2-phenyl-4H-1,3-thiazine-5,6-dicarboxylate?
dimethyl 4-methyl-2-phenyl-4H-1,3-thiazine-5,6-dicarboxylate has a molecular weight of 305.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-methyl-2-phenyl-4H-1,3-thiazine-5,6-dicarboxylate is sourced from PubChem (CID 15891844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).