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

C10H10N2O2S — CID 693708

IUPAC2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESNC(=O)C[C@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C10H10N2O2S/c11-9(13)5-8-10(14)12-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H2,11,13)(H,12,14)/t8-/m1/s1
InChIKeyVRKDECQJFMJECI-MRVPVSSYSA-N
MW222.27 g/mol
LogP0.97
Rot. Bonds2

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

2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (PubChem CID 693708) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
PubChem CID693708
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESNC(=O)C[C@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C10H10N2O2S/c11-9(13)5-8-10(14)12-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H2,11,13)(H,12,14)/t8-/m1/s1
InChIKeyVRKDECQJFMJECI-MRVPVSSYSA-N
XLogP0.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 718690
[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]methyl acetate
CID 676908
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 95580312
2-[2-(4-fluorophenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 134915498
2-[2-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 5023549
N-cyclopropyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9165627
N'-[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]propanehydrazide
CID 770317
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-phenylmethoxyacetamide
CID 9227408
[2-(dimethylamino)-2-oxoethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7607305
N-cyclopentyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700634
N-[2-(ethylamino)-2-oxoethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9224548

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The IUPAC name of 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (CID 693708) is 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The canonical SMILES for 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is NC(=O)C[C@H]1Sc2ccccc2NC1=O.
What is the InChIKey of 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The InChIKey is VRKDECQJFMJECI-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c11-9(13)5-8-10(14)12-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H2,11,13)(H,12,14)/t8-/m1/s1.
What are the key properties of 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide has a molecular weight of 222.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is sourced from PubChem (CID 693708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).