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

C10H13N3O4S — CID 110291818

IUPAC8-(dimethylsulfamoylamino)-3-oxo-4H-1,4-benzoxazine
SMILESCN(C)S(=O)(=O)Nc1cccc2c1OCC(=O)N2
InChIInChI=1S/C10H13N3O4S/c1-13(2)18(15,16)12-8-5-3-4-7-10(8)17-6-9(14)11-7/h3-5,12H,6H2,1-2H3,(H,11,14)
InChIKeyKGHZNFUEPPPCCX-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.24
Rot. Bonds3

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

8-(dimethylsulfamoylamino)-3-oxo-4H-1,4-benzoxazine (PubChem CID 110291818) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 8-(dimethylsulfamoylamino)-3-oxo-4H-1,4-benzoxazine.

Molecular Properties

Compound Name8-(dimethylsulfamoylamino)-3-oxo-4H-1,4-benzoxazine
PubChem CID110291818
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name8-(dimethylsulfamoylamino)-3-oxo-4H-1,4-benzoxazine
SMILESCN(C)S(=O)(=O)Nc1cccc2c1OCC(=O)N2
InChIInChI=1S/C10H13N3O4S/c1-13(2)18(15,16)12-8-5-3-4-7-10(8)17-6-9(14)11-7/h3-5,12H,6H2,1-2H3,(H,11,14)
InChIKeyKGHZNFUEPPPCCX-UHFFFAOYSA-N
XLogP0.24
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylsulfamoylamino)-3-oxo-4H-1,4-benzoxazine?
The IUPAC name of 8-(dimethylsulfamoylamino)-3-oxo-4H-1,4-benzoxazine (CID 110291818) is 8-(dimethylsulfamoylamino)-3-oxo-4H-1,4-benzoxazine.
What is the SMILES notation for 8-(dimethylsulfamoylamino)-3-oxo-4H-1,4-benzoxazine?
The canonical SMILES for 8-(dimethylsulfamoylamino)-3-oxo-4H-1,4-benzoxazine is CN(C)S(=O)(=O)Nc1cccc2c1OCC(=O)N2.
What is the InChIKey of 8-(dimethylsulfamoylamino)-3-oxo-4H-1,4-benzoxazine?
The InChIKey is KGHZNFUEPPPCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-13(2)18(15,16)12-8-5-3-4-7-10(8)17-6-9(14)11-7/h3-5,12H,6H2,1-2H3,(H,11,14).
What are the key properties of 8-(dimethylsulfamoylamino)-3-oxo-4H-1,4-benzoxazine?
8-(dimethylsulfamoylamino)-3-oxo-4H-1,4-benzoxazine has a molecular weight of 271.30 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylsulfamoylamino)-3-oxo-4H-1,4-benzoxazine is sourced from PubChem (CID 110291818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).