2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-propylacetamide

C13H16N2O2S — CID 2972223

IUPAC2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C13H16N2O2S/c1-2-7-14-12(16)8-11-13(17)15-9-5-3-4-6-10(9)18-11/h3-6,11H,2,7-8H2,1H3,(H,14,16)(H,15,17)
InChIKeySDVZESUYIJXAJR-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.02
Rot. Bonds4

About 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-propylacetamide

2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-propylacetamide (PubChem CID 2972223) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-propylacetamide
PubChem CID2972223
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C13H16N2O2S/c1-2-7-14-12(16)8-11-13(17)15-9-5-3-4-6-10(9)18-11/h3-6,11H,2,7-8H2,1H3,(H,14,16)(H,15,17)
InChIKeySDVZESUYIJXAJR-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-propylacetamide?
The IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-propylacetamide (CID 2972223) is 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-propylacetamide.
What is the SMILES notation for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-propylacetamide?
The canonical SMILES for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-propylacetamide is CCCNC(=O)CC1Sc2ccccc2NC1=O.
What is the InChIKey of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-propylacetamide?
The InChIKey is SDVZESUYIJXAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-2-7-14-12(16)8-11-13(17)15-9-5-3-4-6-10(9)18-11/h3-6,11H,2,7-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-propylacetamide?
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-propylacetamide has a molecular weight of 264.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-propylacetamide is sourced from PubChem (CID 2972223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).