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

C9H10N2O4S2 — CID 58429326

IUPAC5-methylsulfonyl-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
SMILESCS(=O)(=O)c1cccc2c1C(N)=NS(=O)(=O)C2
InChIInChI=1S/C9H10N2O4S2/c1-16(12,13)7-4-2-3-6-5-17(14,15)11-9(10)8(6)7/h2-4H,5H2,1H3,(H2,10,11)
InChIKeyUHRVLOJXUDHEKY-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.36
Rot. Bonds1

About 5-methylsulfonyl-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine

5-methylsulfonyl-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine (PubChem CID 58429326) has the molecular formula C9H10N2O4S2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-methylsulfonyl-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine.

Molecular Properties

Compound Name5-methylsulfonyl-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
PubChem CID58429326
Molecular FormulaC9H10N2O4S2
Molecular Weight274.32 g/mol
Exact Mass274.01
IUPAC Name5-methylsulfonyl-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
SMILESCS(=O)(=O)c1cccc2c1C(N)=NS(=O)(=O)C2
InChIInChI=1S/C9H10N2O4S2/c1-16(12,13)7-4-2-3-6-5-17(14,15)11-9(10)8(6)7/h2-4H,5H2,1H3,(H2,10,11)
InChIKeyUHRVLOJXUDHEKY-UHFFFAOYSA-N
XLogP-0.36
TPSA106.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-2,3-Benzothiazin-4-amine, 2,2-dioxide
CID 47002622
3-Methanesulfonylbenzene-1-carboximidamide hydrochloride
CID 72211282
Methanesulfonylbenzamidoxime
CID 54424844
3-(Methanesulfonyl)benzene-1-carboximidamide
CID 14952748
1,1-Dioxo-4-[4-(trifluoromethylsulfonyl)phenyl]-1,2-benzothiazol-3-amine
CID 140112813
4-(2-Methylsulfonylethylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 63659035
5-Fluoro-2-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide
CID 63669028
N'-hydroxy-4-(2-methylsulfonylethylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 77003996
2-Fluoro-6-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide
CID 79522221
N'-hydroxy-5-(2-methylsulfonylethylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 81528741
5-(2-Methylsulfonylethylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 81547737
2-(Methylsulfonyl)benzamidine
CID 12242121

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
The IUPAC name of 5-methylsulfonyl-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine (CID 58429326) is 5-methylsulfonyl-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine.
What is the SMILES notation for 5-methylsulfonyl-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
The canonical SMILES for 5-methylsulfonyl-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine is CS(=O)(=O)c1cccc2c1C(N)=NS(=O)(=O)C2.
What is the InChIKey of 5-methylsulfonyl-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
The InChIKey is UHRVLOJXUDHEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S2/c1-16(12,13)7-4-2-3-6-5-17(14,15)11-9(10)8(6)7/h2-4H,5H2,1H3,(H2,10,11).
What are the key properties of 5-methylsulfonyl-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
5-methylsulfonyl-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine has a molecular weight of 274.32 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine is sourced from PubChem (CID 58429326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).