methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate

C11H11NO3S — CID 718690

IUPACmethyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
SMILESCOC(=O)C[C@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C11H11NO3S/c1-15-10(13)6-9-11(14)12-7-4-2-3-5-8(7)16-9/h2-5,9H,6H2,1H3,(H,12,14)/t9-/m1/s1
InChIKeyZAQAENJTGPJUEZ-SECBINFHSA-N
MW237.28 g/mol
LogP1.66
Rot. Bonds2

About methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate

methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate (PubChem CID 718690) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
PubChem CID718690
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Namemethyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
SMILESCOC(=O)C[C@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C11H11NO3S/c1-15-10(13)6-9-11(14)12-7-4-2-3-5-8(7)16-9/h2-5,9H,6H2,1H3,(H,12,14)/t9-/m1/s1
InChIKeyZAQAENJTGPJUEZ-SECBINFHSA-N
XLogP1.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 40591772
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
methyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate
CID 2242136
[(1R)-1-phenylethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7607220
[2-(dimethylamino)-2-oxoethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7607305
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 693708
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 26201665
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7435863
N'-[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]propanehydrazide
CID 770317
[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7607802
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7300483
methyl (2R)-3-hydroxy-2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanoate
CID 9277724

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate (CID 718690) is methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate is COC(=O)C[C@H]1Sc2ccccc2NC1=O.
What is the InChIKey of methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate?
The InChIKey is ZAQAENJTGPJUEZ-SECBINFHSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-15-10(13)6-9-11(14)12-7-4-2-3-5-8(7)16-9/h2-5,9H,6H2,1H3,(H,12,14)/t9-/m1/s1.
What are the key properties of methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate?
methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate has a molecular weight of 237.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate is sourced from PubChem (CID 718690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).