1,1-dioxo-4H-1lambda6,4-benzothiazin-3-one

C8H7NO3S — CID 1490926

IUPAC1,1-dioxo-4H-1lambda6,4-benzothiazin-3-one
SMILESO=C1CS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C8H7NO3S/c10-8-5-13(11,12)7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10)
InChIKeyYIWUEDSIYPTYEF-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.41
Rot. Bonds

About 1,1-dioxo-4H-1lambda6,4-benzothiazin-3-one

1,1-dioxo-4H-1lambda6,4-benzothiazin-3-one (PubChem CID 1490926) has the molecular formula C8H7NO3S and a molecular weight of 197.22 g/mol. Its IUPAC name is 1,1-dioxo-4H-1lambda6,4-benzothiazin-3-one.

Molecular Properties

Compound Name1,1-dioxo-4H-1lambda6,4-benzothiazin-3-one
PubChem CID1490926
Molecular FormulaC8H7NO3S
Molecular Weight197.22 g/mol
Exact Mass197.01
IUPAC Name1,1-dioxo-4H-1lambda6,4-benzothiazin-3-one
SMILESO=C1CS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C8H7NO3S/c10-8-5-13(11,12)7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10)
InChIKeyYIWUEDSIYPTYEF-UHFFFAOYSA-N
XLogP0.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Monoacetyldapsone
CID 11257
4H-1,4-Benzothiazin-3-one
CID 21396
2-(3,4-Dihydro-3-Oxo-2h-Benzo[B][1,4]Thiazin-2-Yl)-N-Hydroxyacetamide
CID 448475
2-Acetamidophenyl phenyl sulfide
CID 365383
2,3-Dihydro-1,5-benzothiazepin-4(5H)-one
CID 96471
3,4-Dihydro-3-oxo-2H-1,4-benzothiazine-2-acetic acid hydrazide
CID 3450026
Phenothiazine 5,5-dioxide
CID 71024
2-(Vinylsulfonyl) acetanilide
CID 54452075
Acetamide, N-[2-(phenylsulfonyl)phenyl]-
CID 365390
N-(2-(Methylsulfonyl)phenyl)acetamide
CID 826278
4'-(Methylsulfonyl)acetanilide
CID 257586
N-{4-[(3-oxobutyl)sulfonyl]phenyl}acetamide
CID 790842

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4H-1lambda6,4-benzothiazin-3-one?
The IUPAC name of 1,1-dioxo-4H-1lambda6,4-benzothiazin-3-one (CID 1490926) is 1,1-dioxo-4H-1lambda6,4-benzothiazin-3-one.
What is the SMILES notation for 1,1-dioxo-4H-1lambda6,4-benzothiazin-3-one?
The canonical SMILES for 1,1-dioxo-4H-1lambda6,4-benzothiazin-3-one is O=C1CS(=O)(=O)c2ccccc2N1.
What is the InChIKey of 1,1-dioxo-4H-1lambda6,4-benzothiazin-3-one?
The InChIKey is YIWUEDSIYPTYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3S/c10-8-5-13(11,12)7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10).
What are the key properties of 1,1-dioxo-4H-1lambda6,4-benzothiazin-3-one?
1,1-dioxo-4H-1lambda6,4-benzothiazin-3-one has a molecular weight of 197.22 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4H-1lambda6,4-benzothiazin-3-one is sourced from PubChem (CID 1490926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).