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

C8H10N2O2S — CID 163458369

IUPAC1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-5-amine
SMILESNc1cccc2c1CCNS2(=O)=O
InChIInChI=1S/C8H10N2O2S/c9-7-2-1-3-8-6(7)4-5-10-13(8,11)12/h1-3,10H,4-5,9H2
InChIKeyBMLGYOFGANDLIE-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.10
Rot. Bonds

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

1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-5-amine (PubChem CID 163458369) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-5-amine.

Molecular Properties

Compound Name1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-5-amine
PubChem CID163458369
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-5-amine
SMILESNc1cccc2c1CCNS2(=O)=O
InChIInChI=1S/C8H10N2O2S/c9-7-2-1-3-8-6(7)4-5-10-13(8,11)12/h1-3,10H,4-5,9H2
InChIKeyBMLGYOFGANDLIE-UHFFFAOYSA-N
XLogP0.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,3-dioxo-1,2-dihydro-[1,2]thiazolo[4,5-f]quinolin-9-amine
CID 58678062
1,1-dioxo-2,3,4,5-tetrahydro-1λ6,2,5-benzothiadiazepin-8-amine
CID 162728106
6-tert-butyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
CID 71095116
1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-8-amine
CID 115095942
1-methyl-2,3-dihydro-1-benzoborol-4-amine
CID 89019525
7,10-dioxa-2λ6-thia-3,12-diazabicyclo[9.4.0]pentadeca-1(11),12,14-triene 2,2-dioxide
CID 146412927
(4S)-4-methyl-2,3,4,5-tetrahydro-1λ6,2-benzothiazepine 1,1-dioxide
CID 118170673
5-amino-2-methyl-3,4-dihydroisoquinolin-1-one
CID 14171272
1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine
CID 61017681
1λ6,3λ6,2-benzodithiazole 1,1,3,3-tetraoxide
CID 10500043
1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine
CID 84656202

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-5-amine?
The IUPAC name of 1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-5-amine (CID 163458369) is 1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-5-amine.
What is the SMILES notation for 1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-5-amine?
The canonical SMILES for 1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-5-amine is Nc1cccc2c1CCNS2(=O)=O.
What is the InChIKey of 1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-5-amine?
The InChIKey is BMLGYOFGANDLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c9-7-2-1-3-8-6(7)4-5-10-13(8,11)12/h1-3,10H,4-5,9H2.
What are the key properties of 1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-5-amine?
1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-5-amine has a molecular weight of 198.25 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-5-amine is sourced from PubChem (CID 163458369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).