8-(dimethylsulfamoylamino)-6-methyl-3-oxo-4H-1,4-benzoxazine

C11H15N3O4S — CID 110729693

IUPAC8-(dimethylsulfamoylamino)-6-methyl-3-oxo-4H-1,4-benzoxazine
SMILESCc1cc2c(c(NS(=O)(=O)N(C)C)c1)OCC(=O)N2
InChIInChI=1S/C11H15N3O4S/c1-7-4-8-11(18-6-10(15)12-8)9(5-7)13-19(16,17)14(2)3/h4-5,13H,6H2,1-3H3,(H,12,15)
InChIKeyCEUBKZSRYWDGDM-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.54
Rot. Bonds3

About 8-(dimethylsulfamoylamino)-6-methyl-3-oxo-4H-1,4-benzoxazine

8-(dimethylsulfamoylamino)-6-methyl-3-oxo-4H-1,4-benzoxazine (PubChem CID 110729693) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 8-(dimethylsulfamoylamino)-6-methyl-3-oxo-4H-1,4-benzoxazine.

Molecular Properties

Compound Name8-(dimethylsulfamoylamino)-6-methyl-3-oxo-4H-1,4-benzoxazine
PubChem CID110729693
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name8-(dimethylsulfamoylamino)-6-methyl-3-oxo-4H-1,4-benzoxazine
SMILESCc1cc2c(c(NS(=O)(=O)N(C)C)c1)OCC(=O)N2
InChIInChI=1S/C11H15N3O4S/c1-7-4-8-11(18-6-10(15)12-8)9(5-7)13-19(16,17)14(2)3/h4-5,13H,6H2,1-3H3,(H,12,15)
InChIKeyCEUBKZSRYWDGDM-UHFFFAOYSA-N
XLogP0.54
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)propane-1-sulfonamide
CID 110729691
8-(dimethylsulfamoylamino)-3-oxo-4H-1,4-benzoxazine
CID 110291818
4-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide
CID 110729696
8-chloro-6-methyl-4H-1,4-benzoxazin-3-one
CID 84667909
N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide
CID 110744799
2-(4-fluorophenoxy)-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
CID 110729688
2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide
CID 110729628
2-methoxy-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide
CID 110729632
N-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)methanesulfonamide
CID 43550407
4-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)benzenesulfonamide
CID 110504134
ethane;7-methyl-4H-1,4-benzoxazin-3-one
CID 143712087
N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-3H-benzimidazole-5-carboxamide
CID 110744803

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylsulfamoylamino)-6-methyl-3-oxo-4H-1,4-benzoxazine?
The IUPAC name of 8-(dimethylsulfamoylamino)-6-methyl-3-oxo-4H-1,4-benzoxazine (CID 110729693) is 8-(dimethylsulfamoylamino)-6-methyl-3-oxo-4H-1,4-benzoxazine.
What is the SMILES notation for 8-(dimethylsulfamoylamino)-6-methyl-3-oxo-4H-1,4-benzoxazine?
The canonical SMILES for 8-(dimethylsulfamoylamino)-6-methyl-3-oxo-4H-1,4-benzoxazine is Cc1cc2c(c(NS(=O)(=O)N(C)C)c1)OCC(=O)N2.
What is the InChIKey of 8-(dimethylsulfamoylamino)-6-methyl-3-oxo-4H-1,4-benzoxazine?
The InChIKey is CEUBKZSRYWDGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-7-4-8-11(18-6-10(15)12-8)9(5-7)13-19(16,17)14(2)3/h4-5,13H,6H2,1-3H3,(H,12,15).
What are the key properties of 8-(dimethylsulfamoylamino)-6-methyl-3-oxo-4H-1,4-benzoxazine?
8-(dimethylsulfamoylamino)-6-methyl-3-oxo-4H-1,4-benzoxazine has a molecular weight of 285.32 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylsulfamoylamino)-6-methyl-3-oxo-4H-1,4-benzoxazine is sourced from PubChem (CID 110729693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).