6-(dimethylsulfamoylamino)-2-methyl-4H-3,1-benzoxazine

C11H15N3O3S — CID 70936284

IUPAC6-(dimethylsulfamoylamino)-2-methyl-4H-3,1-benzoxazine
SMILESCC1=Nc2ccc(NS(=O)(=O)N(C)C)cc2CO1
InChIInChI=1S/C11H15N3O3S/c1-8-12-11-5-4-10(6-9(11)7-17-8)13-18(15,16)14(2)3/h4-6,13H,7H2,1-3H3
InChIKeyQFMWEJFJFBXTED-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.49
Rot. Bonds3

About 6-(dimethylsulfamoylamino)-2-methyl-4H-3,1-benzoxazine

6-(dimethylsulfamoylamino)-2-methyl-4H-3,1-benzoxazine (PubChem CID 70936284) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 6-(dimethylsulfamoylamino)-2-methyl-4H-3,1-benzoxazine.

Molecular Properties

Compound Name6-(dimethylsulfamoylamino)-2-methyl-4H-3,1-benzoxazine
PubChem CID70936284
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name6-(dimethylsulfamoylamino)-2-methyl-4H-3,1-benzoxazine
SMILESCC1=Nc2ccc(NS(=O)(=O)N(C)C)cc2CO1
InChIInChI=1S/C11H15N3O3S/c1-8-12-11-5-4-10(6-9(11)7-17-8)13-18(15,16)14(2)3/h4-6,13H,7H2,1-3H3
InChIKeyQFMWEJFJFBXTED-UHFFFAOYSA-N
XLogP1.49
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylsulfamoylamino)-2-methyl-4H-3,1-benzoxazine?
The IUPAC name of 6-(dimethylsulfamoylamino)-2-methyl-4H-3,1-benzoxazine (CID 70936284) is 6-(dimethylsulfamoylamino)-2-methyl-4H-3,1-benzoxazine.
What is the SMILES notation for 6-(dimethylsulfamoylamino)-2-methyl-4H-3,1-benzoxazine?
The canonical SMILES for 6-(dimethylsulfamoylamino)-2-methyl-4H-3,1-benzoxazine is CC1=Nc2ccc(NS(=O)(=O)N(C)C)cc2CO1.
What is the InChIKey of 6-(dimethylsulfamoylamino)-2-methyl-4H-3,1-benzoxazine?
The InChIKey is QFMWEJFJFBXTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-8-12-11-5-4-10(6-9(11)7-17-8)13-18(15,16)14(2)3/h4-6,13H,7H2,1-3H3.
What are the key properties of 6-(dimethylsulfamoylamino)-2-methyl-4H-3,1-benzoxazine?
6-(dimethylsulfamoylamino)-2-methyl-4H-3,1-benzoxazine has a molecular weight of 269.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylsulfamoylamino)-2-methyl-4H-3,1-benzoxazine is sourced from PubChem (CID 70936284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).