4-ethyl-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one

C14H18N2O5S — CID 100830352

IUPAC4-ethyl-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one
SMILESCCN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C14H18N2O5S/c1-2-16-12-9-11(3-4-13(12)21-10-14(16)17)22(18,19)15-5-7-20-8-6-15/h3-4,9H,2,5-8,10H2,1H3
InChIKeyGAQBDBICLPVSDG-UHFFFAOYSA-N
MW326.37 g/mol
LogP0.45
Rot. Bonds3

About 4-ethyl-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one

4-ethyl-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one (PubChem CID 100830352) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is 4-ethyl-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-ethyl-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one
PubChem CID100830352
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name4-ethyl-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one
SMILESCCN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C14H18N2O5S/c1-2-16-12-9-11(3-4-13(12)21-10-14(16)17)22(18,19)15-5-7-20-8-6-15/h3-4,9H,2,5-8,10H2,1H3
InChIKeyGAQBDBICLPVSDG-UHFFFAOYSA-N
XLogP0.45
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-morpholin-4-yl-2-oxoethyl)-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one
CID 20903081
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one
CID 20861548
N-cyclopentyl-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 20903045
N-(4-methylcyclohexyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 20903071
2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 92664935
2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 20861542
2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide
CID 20903061
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one
CID 92667153
2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 20861537
4-ethyl-6-hydroxy-1,4-benzoxazin-3-one
CID 82063398
N-[2-[butan-2-yl(cyclohexyl)amino]ethyl]-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 20876532
2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)-N-propan-2-ylacetamide
CID 20861558

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one?
The IUPAC name of 4-ethyl-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one (CID 100830352) is 4-ethyl-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-ethyl-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-ethyl-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one is CCN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21.
What is the InChIKey of 4-ethyl-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one?
The InChIKey is GAQBDBICLPVSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-2-16-12-9-11(3-4-13(12)21-10-14(16)17)22(18,19)15-5-7-20-8-6-15/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of 4-ethyl-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one?
4-ethyl-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one has a molecular weight of 326.37 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 100830352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).