N,N-diethyl-2,2-dioxo-1,2λ6,3-benzoxathiazin-7-amine

C11H14N2O3S — CID 155535074

IUPACN,N-diethyl-2,2-dioxo-1,2λ6,3-benzoxathiazin-7-amine
SMILESCCN(CC)c1ccc2c(c1)OS(=O)(=O)N=C2
InChIInChI=1S/C11H14N2O3S/c1-3-13(4-2)10-6-5-9-8-12-17(14,15)16-11(9)7-10/h5-8H,3-4H2,1-2H3
InChIKeyGOJPRPHLXDDKFX-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.59
Rot. Bonds3

About N,N-diethyl-2,2-dioxo-1,2λ6,3-benzoxathiazin-7-amine

N,N-diethyl-2,2-dioxo-1,2λ6,3-benzoxathiazin-7-amine (PubChem CID 155535074) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N,N-diethyl-2,2-dioxo-1,2λ6,3-benzoxathiazin-7-amine.

Molecular Properties

Compound NameN,N-diethyl-2,2-dioxo-1,2λ6,3-benzoxathiazin-7-amine
PubChem CID155535074
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN,N-diethyl-2,2-dioxo-1,2λ6,3-benzoxathiazin-7-amine
SMILESCCN(CC)c1ccc2c(c1)OS(=O)(=O)N=C2
InChIInChI=1S/C11H14N2O3S/c1-3-13(4-2)10-6-5-9-8-12-17(14,15)16-11(9)7-10/h5-8H,3-4H2,1-2H3
InChIKeyGOJPRPHLXDDKFX-UHFFFAOYSA-N
XLogP1.59
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-2,2-dioxo-1,2λ6,3-benzoxathiazin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-2H-chromen-7-amine
CID 10750672
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
N,N-diethyl-4-fluoroaniline
CID 592416
N,N-diethyl-6-methylidenexanthen-3-amine
CID 90961731
N,N-diethyl-1,2-benzoxazol-6-amine
CID 10821519
4-N,4-N,2-triethylbenzene-1,4-diamine;hydrochloride
CID 68622660
(E)-3-[7-(diethylamino)-2H-chromen-3-yl]prop-2-enoic acid
CID 16769201
6-N,6-N-diethylquinazoline-2,4,6-triamine
CID 44531790
N,N-diethylbenzo[d][1]benzoxepin-3-amine
CID 69313406
3,7-bis(diethylamino)-N,N-diethylphenoxazine-10-carboxamide
CID 102485913
7-(diethylamino)-2-(4-hydroxyphenyl)chromen-2-ol
CID 101359385

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,2-dioxo-1,2λ6,3-benzoxathiazin-7-amine?
The IUPAC name of N,N-diethyl-2,2-dioxo-1,2λ6,3-benzoxathiazin-7-amine (CID 155535074) is N,N-diethyl-2,2-dioxo-1,2λ6,3-benzoxathiazin-7-amine.
What is the SMILES notation for N,N-diethyl-2,2-dioxo-1,2λ6,3-benzoxathiazin-7-amine?
The canonical SMILES for N,N-diethyl-2,2-dioxo-1,2λ6,3-benzoxathiazin-7-amine is CCN(CC)c1ccc2c(c1)OS(=O)(=O)N=C2.
What is the InChIKey of N,N-diethyl-2,2-dioxo-1,2λ6,3-benzoxathiazin-7-amine?
The InChIKey is GOJPRPHLXDDKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-3-13(4-2)10-6-5-9-8-12-17(14,15)16-11(9)7-10/h5-8H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2,2-dioxo-1,2λ6,3-benzoxathiazin-7-amine?
N,N-diethyl-2,2-dioxo-1,2λ6,3-benzoxathiazin-7-amine has a molecular weight of 254.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2-dioxo-1,2λ6,3-benzoxathiazin-7-amine is sourced from PubChem (CID 155535074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).