furan-3-ylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate

C14H11NO4S — CID 47348563

IUPACfuran-3-ylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
SMILESO=C1CSc2ccc(C(=O)OCc3ccoc3)cc2N1
InChIInChI=1S/C14H11NO4S/c16-13-8-20-12-2-1-10(5-11(12)15-13)14(17)19-7-9-3-4-18-6-9/h1-6H,7-8H2,(H,15,16)
InChIKeyHRJDOOMRPPPJED-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.68
Rot. Bonds3

About furan-3-ylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate

furan-3-ylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate (PubChem CID 47348563) has the molecular formula C14H11NO4S and a molecular weight of 289.31 g/mol. Its IUPAC name is furan-3-ylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate.

Molecular Properties

Compound Namefuran-3-ylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
PubChem CID47348563
Molecular FormulaC14H11NO4S
Molecular Weight289.31 g/mol
Exact Mass289.04
IUPAC Namefuran-3-ylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
SMILESO=C1CSc2ccc(C(=O)OCc3ccoc3)cc2N1
InChIInChI=1S/C14H11NO4S/c16-13-8-20-12-2-1-10(5-11(12)15-13)14(17)19-7-9-3-4-18-6-9/h1-6H,7-8H2,(H,15,16)
InChIKeyHRJDOOMRPPPJED-UHFFFAOYSA-N
XLogP2.68
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylphenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 16577438
(3-methoxyphenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 17454387
cyclohexylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7239139
(2,5-dimethylphenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 16506050
(2-methoxy-5-methylphenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7627996
(2-phenyl-1,3-oxazol-4-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 16505934
6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one
CID 82494432
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7292106
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 16506134
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 16505925
(4-methylsulfanylphenyl)methyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate
CID 7848841
N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 17412810

Frequently Asked Questions

What is the IUPAC name of furan-3-ylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate?
The IUPAC name of furan-3-ylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate (CID 47348563) is furan-3-ylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate.
What is the SMILES notation for furan-3-ylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate?
The canonical SMILES for furan-3-ylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate is O=C1CSc2ccc(C(=O)OCc3ccoc3)cc2N1.
What is the InChIKey of furan-3-ylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate?
The InChIKey is HRJDOOMRPPPJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4S/c16-13-8-20-12-2-1-10(5-11(12)15-13)14(17)19-7-9-3-4-18-6-9/h1-6H,7-8H2,(H,15,16).
What are the key properties of furan-3-ylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate?
furan-3-ylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate has a molecular weight of 289.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-ylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate is sourced from PubChem (CID 47348563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).