2,2-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-2λ6,3-benzothiazin-4-one

C14H16N2O4S — CID 51100936

IUPAC2,2-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-2λ6,3-benzothiazin-4-one
SMILESO=C(CN1C(=O)c2ccccc2CS1(=O)=O)N1CCCC1
InChIInChI=1S/C14H16N2O4S/c17-13(15-7-3-4-8-15)9-16-14(18)12-6-2-1-5-11(12)10-21(16,19)20/h1-2,5-6H,3-4,7-10H2
InChIKeyDXYAAFHVFAHTHL-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.59
Rot. Bonds2

About 2,2-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-2λ6,3-benzothiazin-4-one

2,2-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-2λ6,3-benzothiazin-4-one (PubChem CID 51100936) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2,2-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-2λ6,3-benzothiazin-4-one.

Molecular Properties

Compound Name2,2-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-2λ6,3-benzothiazin-4-one
PubChem CID51100936
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name2,2-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-2λ6,3-benzothiazin-4-one
SMILESO=C(CN1C(=O)c2ccccc2CS1(=O)=O)N1CCCC1
InChIInChI=1S/C14H16N2O4S/c17-13(15-7-3-4-8-15)9-16-14(18)12-6-2-1-5-11(12)10-21(16,19)20/h1-2,5-6H,3-4,7-10H2
InChIKeyDXYAAFHVFAHTHL-UHFFFAOYSA-N
XLogP0.59
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-2λ6,3-benzothiazin-4-one with MolForge

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Related Compounds

2-[2-(azepan-1-yl)-2-oxoethyl]-3,4-dihydroisoquinolin-1-one
CID 104501276
2-(2-morpholin-4-yl-2-oxoethyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 736241
N-ethyl-N-(2-methylprop-2-enyl)-2-(2,2,4-trioxo-1H-2λ6,3-benzothiazin-3-yl)acetamide
CID 52810332
2-[3-(azepan-1-yl)-3-oxopropyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 7600690
3-methylidene-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindol-1-one
CID 47132389
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,2,4-trioxo-1H-2λ6,3-benzothiazin-3-yl)acetamide
CID 94813038
methyl 4-[(2,2,4-trioxo-1H-2λ6,3-benzothiazin-3-yl)methyl]benzoate
CID 51100967
2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione
CID 17449767
2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 7382226
2-[2-[(4S,5S)-4-hydroxy-5-morpholin-4-ylazepan-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 110164385
(6aS)-5-(2-oxo-2-pyrrolidin-1-ylethyl)-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 7442534
1-(azepan-1-yl)-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)ethanone
CID 3407406

Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-2λ6,3-benzothiazin-4-one?
The IUPAC name of 2,2-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-2λ6,3-benzothiazin-4-one (CID 51100936) is 2,2-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-2λ6,3-benzothiazin-4-one.
What is the SMILES notation for 2,2-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-2λ6,3-benzothiazin-4-one?
The canonical SMILES for 2,2-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-2λ6,3-benzothiazin-4-one is O=C(CN1C(=O)c2ccccc2CS1(=O)=O)N1CCCC1.
What is the InChIKey of 2,2-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-2λ6,3-benzothiazin-4-one?
The InChIKey is DXYAAFHVFAHTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c17-13(15-7-3-4-8-15)9-16-14(18)12-6-2-1-5-11(12)10-21(16,19)20/h1-2,5-6H,3-4,7-10H2.
What are the key properties of 2,2-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-2λ6,3-benzothiazin-4-one?
2,2-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-2λ6,3-benzothiazin-4-one has a molecular weight of 308.36 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-2λ6,3-benzothiazin-4-one is sourced from PubChem (CID 51100936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).