2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine

C8H8N2O2S — CID 47002622

IUPAC2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
SMILESNC1=NS(=O)(=O)Cc2ccccc21
InChIInChI=1S/C8H8N2O2S/c9-8-7-4-2-1-3-6(7)5-13(11,12)10-8/h1-4H,5H2,(H2,9,10)
InChIKeyGIKQLEFWTSOVGZ-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.24
Rot. Bonds

About 2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine

2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine (PubChem CID 47002622) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine.

Molecular Properties

Compound Name2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
PubChem CID47002622
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
SMILESNC1=NS(=O)(=O)Cc2ccccc21
InChIInChI=1S/C8H8N2O2S/c9-8-7-4-2-1-3-6(7)5-13(11,12)10-8/h1-4H,5H2,(H2,9,10)
InChIKeyGIKQLEFWTSOVGZ-UHFFFAOYSA-N
XLogP0.24
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Amidinophenyl)methanesulfonyl fluoride
CID 1719
1-(2-(aminomethyl)phenyl)-N-methylmethanesulfonamide
CID 9106618
4-Amidinophenylmethanesulfonyl fluoride hydrochloride
CID 16218950
N'-ethylsulfonylbenzenecarboximidamide
CID 9568128
N-[(Z)-Amino(phenyl)methylidene]benzenesulfonamide
CID 555734
4-(Methylsulfonylmethyl)benzenecarboximidamide
CID 44394302
4-(2-Methylsulfonylethyl)benzenecarboximidamide
CID 44394307
(Amidinophenyl)-methanesulfonyl fluoride
CID 17801483
N-[1-Amino-1-phenyl-meth-(Z)-ylidene]-benzenesulfonamide
CID 9586587
N-[Methylsulfonyl]benzenecarboxamidine
CID 9602031
p-Amidinophenylmethylethanesulfonylfluoride
CID 129711928
N'-ethylsulfonylbenzenecarboximidamide
CID 2306902

Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
The IUPAC name of 2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine (CID 47002622) is 2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine.
What is the SMILES notation for 2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
The canonical SMILES for 2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine is NC1=NS(=O)(=O)Cc2ccccc21.
What is the InChIKey of 2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
The InChIKey is GIKQLEFWTSOVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c9-8-7-4-2-1-3-6(7)5-13(11,12)10-8/h1-4H,5H2,(H2,9,10).
What are the key properties of 2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine has a molecular weight of 196.23 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine is sourced from PubChem (CID 47002622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).