N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(prop-2-enylamino)acetamide

C13H15N3O2S — CID 79286230

IUPACN-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C13H15N3O2S/c1-2-5-14-7-12(17)15-9-3-4-11-10(6-9)16-13(18)8-19-11/h2-4,6,14H,1,5,7-8H2,(H,15,17)(H,16,18)
InChIKeyMPROLCYAWDBINT-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.44
Rot. Bonds5

About N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(prop-2-enylamino)acetamide

N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(prop-2-enylamino)acetamide (PubChem CID 79286230) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(prop-2-enylamino)acetamide
PubChem CID79286230
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C13H15N3O2S/c1-2-5-14-7-12(17)15-9-3-4-11-10(6-9)16-13(18)8-19-11/h2-4,6,14H,1,5,7-8H2,(H,15,17)(H,16,18)
InChIKeyMPROLCYAWDBINT-UHFFFAOYSA-N
XLogP1.44
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 115138762
3-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 43699746
2-(cyclopentylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 60850681
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide
CID 37015148
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide
CID 31721130
2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide
CID 110771518
2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 113219045
3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 31720740
3-(ethylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide
CID 62837216
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(prop-2-enoylamino)benzamide
CID 167886727
3-(3,5-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 134048745

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(prop-2-enylamino)acetamide (CID 79286230) is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(prop-2-enylamino)acetamide?
The InChIKey is MPROLCYAWDBINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-2-5-14-7-12(17)15-9-3-4-11-10(6-9)16-13(18)8-19-11/h2-4,6,14H,1,5,7-8H2,(H,15,17)(H,16,18).
What are the key properties of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(prop-2-enylamino)acetamide?
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(prop-2-enylamino)acetamide has a molecular weight of 277.35 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79286230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).