8-(ethylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one

C11H15N3O4S — CID 110630398

IUPAC8-(ethylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one
SMILESCCNS(=O)(=O)Nc1cccc2c1OCC(=O)N2C
InChIInChI=1S/C11H15N3O4S/c1-3-12-19(16,17)13-8-5-4-6-9-11(8)18-7-10(15)14(9)2/h4-6,12-13H,3,7H2,1-2H3
InChIKeyOOLXKHNZVSNDHL-UHFFFAOYSA-N
MW285.33 g/mol
LogP0.31
Rot. Bonds4

About 8-(ethylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one

8-(ethylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one (PubChem CID 110630398) has the molecular formula C11H15N3O4S and a molecular weight of 285.33 g/mol. Its IUPAC name is 8-(ethylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name8-(ethylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one
PubChem CID110630398
Molecular FormulaC11H15N3O4S
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Name8-(ethylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one
SMILESCCNS(=O)(=O)Nc1cccc2c1OCC(=O)N2C
InChIInChI=1S/C11H15N3O4S/c1-3-12-19(16,17)13-8-5-4-6-9-11(8)18-7-10(15)14(9)2/h4-6,12-13H,3,7H2,1-2H3
InChIKeyOOLXKHNZVSNDHL-UHFFFAOYSA-N
XLogP0.31
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(cyclopentylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one
CID 110630401
8-fluoro-4-methyl-1,4-benzoxazin-3-one
CID 66697398
2-[(4-methyl-3-oxo-1,4-benzoxazin-8-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168607716
8-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methyl-1,4-benzoxazin-3-one
CID 168583782
2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110291846
methyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate
CID 59153391
1-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-3-(oxan-4-yl)urea
CID 110630403
N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)propane-1-sulfonamide
CID 110713348
2-cyclopropyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-phenylacetamide
CID 110630382
4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide
CID 110701662
3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110291854
2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide
CID 110630337

Frequently Asked Questions

What is the IUPAC name of 8-(ethylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 8-(ethylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one (CID 110630398) is 8-(ethylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 8-(ethylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 8-(ethylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one is CCNS(=O)(=O)Nc1cccc2c1OCC(=O)N2C.
What is the InChIKey of 8-(ethylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is OOLXKHNZVSNDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-3-12-19(16,17)13-8-5-4-6-9-11(8)18-7-10(15)14(9)2/h4-6,12-13H,3,7H2,1-2H3.
What are the key properties of 8-(ethylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one?
8-(ethylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 285.33 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 110630398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).