methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate

C11H10ClNO3S — CID 40591772

IUPACmethyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
SMILESCOC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O
InChIInChI=1S/C11H10ClNO3S/c1-16-10(14)5-9-11(15)13-7-4-6(12)2-3-8(7)17-9/h2-4,9H,5H2,1H3,(H,13,15)/t9-/m1/s1
InChIKeyMLVFADKZFKFSET-SECBINFHSA-N
MW271.73 g/mol
LogP2.32
Rot. Bonds2

About methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate

methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate (PubChem CID 40591772) has the molecular formula C11H10ClNO3S and a molecular weight of 271.73 g/mol. Its IUPAC name is methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
PubChem CID40591772
Molecular FormulaC11H10ClNO3S
Molecular Weight271.73 g/mol
Exact Mass271.01
IUPAC Namemethyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
SMILESCOC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O
InChIInChI=1S/C11H10ClNO3S/c1-16-10(14)5-9-11(15)13-7-4-6(12)2-3-8(7)17-9/h2-4,9H,5H2,1H3,(H,13,15)/t9-/m1/s1
InChIKeyMLVFADKZFKFSET-SECBINFHSA-N
XLogP2.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 718690
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55434606
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 24654793
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(cyclobutylmethyl)acetamide
CID 51078953
2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(cyclobutylmethyl)acetamide
CID 33380084
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 55540261
ethyl 2-[[2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate
CID 1188525
ethyl 2-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate
CID 2918421
[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetate
CID 55480213
N-(3-aminobutyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 119495535
methyl 1-[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]-3-methylpyrrolidine-3-carboxylate
CID 166219259
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 24565890

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate (CID 40591772) is methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate is COC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O.
What is the InChIKey of methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate?
The InChIKey is MLVFADKZFKFSET-SECBINFHSA-N. The full InChI is InChI=1S/C11H10ClNO3S/c1-16-10(14)5-9-11(15)13-7-4-6(12)2-3-8(7)17-9/h2-4,9H,5H2,1H3,(H,13,15)/t9-/m1/s1.
What are the key properties of methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate?
methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate has a molecular weight of 271.73 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate is sourced from PubChem (CID 40591772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).