6-(dimethylsulfamoylamino)-3-oxo-4-propyl-1,4-benzoxazine

C13H19N3O4S — CID 110504184

IUPAC6-(dimethylsulfamoylamino)-3-oxo-4-propyl-1,4-benzoxazine
SMILESCCCN1C(=O)COc2ccc(NS(=O)(=O)N(C)C)cc21
InChIInChI=1S/C13H19N3O4S/c1-4-7-16-11-8-10(14-21(18,19)15(2)3)5-6-12(11)20-9-13(16)17/h5-6,8,14H,4,7,9H2,1-3H3
InChIKeyHPBFRGPHGKCYHS-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.04
Rot. Bonds5

About 6-(dimethylsulfamoylamino)-3-oxo-4-propyl-1,4-benzoxazine

6-(dimethylsulfamoylamino)-3-oxo-4-propyl-1,4-benzoxazine (PubChem CID 110504184) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 6-(dimethylsulfamoylamino)-3-oxo-4-propyl-1,4-benzoxazine.

Molecular Properties

Compound Name6-(dimethylsulfamoylamino)-3-oxo-4-propyl-1,4-benzoxazine
PubChem CID110504184
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name6-(dimethylsulfamoylamino)-3-oxo-4-propyl-1,4-benzoxazine
SMILESCCCN1C(=O)COc2ccc(NS(=O)(=O)N(C)C)cc21
InChIInChI=1S/C13H19N3O4S/c1-4-7-16-11-8-10(14-21(18,19)15(2)3)5-6-12(11)20-9-13(16)17/h5-6,8,14H,4,7,9H2,1-3H3
InChIKeyHPBFRGPHGKCYHS-UHFFFAOYSA-N
XLogP1.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-4-propyl-1,4-benzoxazin-3-one
CID 70699818
3-oxo-4-propyl-1,4-benzoxazine-6-sulfonyl chloride
CID 82025528
N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)cyclobutanecarboxamide
CID 110493196
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-(4-methylphenyl)methanesulfonamide
CID 110778162
2-(3,4-dimethoxyphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)acetamide
CID 110493193
N-[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]methanesulfonamide
CID 21009099
N-(4-fluorophenyl)-2-[2-oxo-2-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide
CID 23408497
4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide
CID 110493204
methanol;4-propyl-1,4-benzoxazin-3-one
CID 91005222
6-iodo-4-(2-propylsulfonylethyl)-1,4-benzoxazin-3-one
CID 106735142
6-(cyclopropylamino)-4-(2-ethoxyethyl)-1,4-benzoxazin-3-one
CID 58006097
6-(1-amino-2,2,2-trifluoroethyl)-4-propyl-1,4-benzoxazin-3-one
CID 82028356

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylsulfamoylamino)-3-oxo-4-propyl-1,4-benzoxazine?
The IUPAC name of 6-(dimethylsulfamoylamino)-3-oxo-4-propyl-1,4-benzoxazine (CID 110504184) is 6-(dimethylsulfamoylamino)-3-oxo-4-propyl-1,4-benzoxazine.
What is the SMILES notation for 6-(dimethylsulfamoylamino)-3-oxo-4-propyl-1,4-benzoxazine?
The canonical SMILES for 6-(dimethylsulfamoylamino)-3-oxo-4-propyl-1,4-benzoxazine is CCCN1C(=O)COc2ccc(NS(=O)(=O)N(C)C)cc21.
What is the InChIKey of 6-(dimethylsulfamoylamino)-3-oxo-4-propyl-1,4-benzoxazine?
The InChIKey is HPBFRGPHGKCYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-4-7-16-11-8-10(14-21(18,19)15(2)3)5-6-12(11)20-9-13(16)17/h5-6,8,14H,4,7,9H2,1-3H3.
What are the key properties of 6-(dimethylsulfamoylamino)-3-oxo-4-propyl-1,4-benzoxazine?
6-(dimethylsulfamoylamino)-3-oxo-4-propyl-1,4-benzoxazine has a molecular weight of 313.38 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylsulfamoylamino)-3-oxo-4-propyl-1,4-benzoxazine is sourced from PubChem (CID 110504184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).