6-[2-(dimethylsulfamoylamino)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine

C14H21N3O4S — CID 110790116

IUPAC6-[2-(dimethylsulfamoylamino)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine
SMILESCC1Oc2ccc(CCNS(=O)(=O)N(C)C)cc2N(C)C1=O
InChIInChI=1S/C14H21N3O4S/c1-10-14(18)17(4)12-9-11(5-6-13(12)21-10)7-8-15-22(19,20)16(2)3/h5-6,9-10,15H,7-8H2,1-4H3
InChIKeyXLIXPVXCQYCQGO-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.37
Rot. Bonds5

About 6-[2-(dimethylsulfamoylamino)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine

6-[2-(dimethylsulfamoylamino)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine (PubChem CID 110790116) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 6-[2-(dimethylsulfamoylamino)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine.

Molecular Properties

Compound Name6-[2-(dimethylsulfamoylamino)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine
PubChem CID110790116
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name6-[2-(dimethylsulfamoylamino)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine
SMILESCC1Oc2ccc(CCNS(=O)(=O)N(C)C)cc2N(C)C1=O
InChIInChI=1S/C14H21N3O4S/c1-10-14(18)17(4)12-9-11(5-6-13(12)21-10)7-8-15-22(19,20)16(2)3/h5-6,9-10,15H,7-8H2,1-4H3
InChIKeyXLIXPVXCQYCQGO-UHFFFAOYSA-N
XLogP0.37
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110790097
5-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)pentanal
CID 82255670
2,4-dimethyl-6-[(propan-2-ylamino)methyl]-1,4-benzoxazin-3-one
CID 82480298
N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]acetamide
CID 110783694
2-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methylamino]acetic acid
CID 82501420
5-[2-(dimethylsulfamoylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole
CID 110792287
3-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)sulfonylamino]propanoic acid
CID 82354987
2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110770696
2,4-dimethyl-6-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 82339601
5-[2-(dimethylsulfamoylamino)ethyl]-2,3-dihydro-1-benzofuran
CID 110792417
6-[2-(4-butanoylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1,4-benzoxazin-3-one
CID 110800158
1-[(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3-(2-methylsulfonylethyl)urea
CID 126450495

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylsulfamoylamino)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine?
The IUPAC name of 6-[2-(dimethylsulfamoylamino)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine (CID 110790116) is 6-[2-(dimethylsulfamoylamino)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine.
What is the SMILES notation for 6-[2-(dimethylsulfamoylamino)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine?
The canonical SMILES for 6-[2-(dimethylsulfamoylamino)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine is CC1Oc2ccc(CCNS(=O)(=O)N(C)C)cc2N(C)C1=O.
What is the InChIKey of 6-[2-(dimethylsulfamoylamino)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine?
The InChIKey is XLIXPVXCQYCQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-10-14(18)17(4)12-9-11(5-6-13(12)21-10)7-8-15-22(19,20)16(2)3/h5-6,9-10,15H,7-8H2,1-4H3.
What are the key properties of 6-[2-(dimethylsulfamoylamino)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine?
6-[2-(dimethylsulfamoylamino)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine has a molecular weight of 327.41 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylsulfamoylamino)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine is sourced from PubChem (CID 110790116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).