6-acetyl-2-ethyl-1-oxo-4-propyl-1λ4,4-benzothiazin-3-one

C15H19NO3S — CID 84615868

IUPAC6-acetyl-2-ethyl-1-oxo-4-propyl-1λ4,4-benzothiazin-3-one
SMILESCCCN1C(=O)C(CC)S(=O)c2ccc(C(C)=O)cc21
InChIInChI=1S/C15H19NO3S/c1-4-8-16-12-9-11(10(3)17)6-7-14(12)20(19)13(5-2)15(16)18/h6-7,9,13H,4-5,8H2,1-3H3
InChIKeyRUAVMADKHRPVNR-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.53
Rot. Bonds4

About 6-acetyl-2-ethyl-1-oxo-4-propyl-1λ4,4-benzothiazin-3-one

6-acetyl-2-ethyl-1-oxo-4-propyl-1λ4,4-benzothiazin-3-one (PubChem CID 84615868) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 6-acetyl-2-ethyl-1-oxo-4-propyl-1λ4,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-acetyl-2-ethyl-1-oxo-4-propyl-1λ4,4-benzothiazin-3-one
PubChem CID84615868
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name6-acetyl-2-ethyl-1-oxo-4-propyl-1λ4,4-benzothiazin-3-one
SMILESCCCN1C(=O)C(CC)S(=O)c2ccc(C(C)=O)cc21
InChIInChI=1S/C15H19NO3S/c1-4-8-16-12-9-11(10(3)17)6-7-14(12)20(19)13(5-2)15(16)18/h6-7,9,13H,4-5,8H2,1-3H3
InChIKeyRUAVMADKHRPVNR-UHFFFAOYSA-N
XLogP2.53
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-acetyl-2-ethyl-1-oxo-4-propyl-1λ4,4-benzothiazin-3-one with MolForge

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Related Compounds

7-acetyl-2-methyl-4-propyl-1,4-benzothiazin-3-one
CID 84615205
6-acetyl-2,2-dimethyl-4-propyl-1,4-benzoxazin-3-one
CID 28816456
6,11-dioxo-5-propylbenzo[b][1,4]benzothiazepine-3-carboxylic acid
CID 53212358
7-acetyl-2-methyl-1-oxo-4-prop-2-enyl-1λ4,4-benzothiazin-3-one
CID 84615776
methyl 2-ethyl-3-oxo-4-propyl-1,4-benzoxazine-7-carboxylate
CID 70261480
6-acetyl-4-ethyl-2-methyl-1,1-dioxo-1λ6,4-benzothiazin-3-one
CID 84615918
6-acetyl-2-butyl-4-methyl-1,4-benzoxazin-3-one
CID 11507201
6-butanoyl-2-methyl-4-propyl-1,4-benzoxazin-3-one
CID 82019477
7-acetyl-4-but-3-enyl-2-ethyl-1,4-benzothiazin-3-one
CID 84615176
6-acetyl-2,4-dimethyl-1,4-benzothiazin-3-one
CID 82097058
6-acetyl-2-hydroxy-4-methyl-1,4-benzoxazin-3-one
CID 11658613
(3R)-3-ethyl-6-fluoro-4-(4-hydroxybenzoyl)-1-propyl-3H-quinoxalin-2-one
CID 69223185

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-ethyl-1-oxo-4-propyl-1λ4,4-benzothiazin-3-one?
The IUPAC name of 6-acetyl-2-ethyl-1-oxo-4-propyl-1λ4,4-benzothiazin-3-one (CID 84615868) is 6-acetyl-2-ethyl-1-oxo-4-propyl-1λ4,4-benzothiazin-3-one.
What is the SMILES notation for 6-acetyl-2-ethyl-1-oxo-4-propyl-1λ4,4-benzothiazin-3-one?
The canonical SMILES for 6-acetyl-2-ethyl-1-oxo-4-propyl-1λ4,4-benzothiazin-3-one is CCCN1C(=O)C(CC)S(=O)c2ccc(C(C)=O)cc21.
What is the InChIKey of 6-acetyl-2-ethyl-1-oxo-4-propyl-1λ4,4-benzothiazin-3-one?
The InChIKey is RUAVMADKHRPVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-4-8-16-12-9-11(10(3)17)6-7-14(12)20(19)13(5-2)15(16)18/h6-7,9,13H,4-5,8H2,1-3H3.
What are the key properties of 6-acetyl-2-ethyl-1-oxo-4-propyl-1λ4,4-benzothiazin-3-one?
6-acetyl-2-ethyl-1-oxo-4-propyl-1λ4,4-benzothiazin-3-one has a molecular weight of 293.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-ethyl-1-oxo-4-propyl-1λ4,4-benzothiazin-3-one is sourced from PubChem (CID 84615868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).