1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-8-amine

C8H10N2O2S — CID 115095942

IUPAC1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-8-amine
SMILESNc1cccc2c1S(=O)(=O)CCN2
InChIInChI=1S/C8H10N2O2S/c9-6-2-1-3-7-8(6)13(11,12)5-4-10-7/h1-3,10H,4-5,9H2
InChIKeyGQSMTYWTRYOZOG-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.47
Rot. Bonds

About 1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-8-amine

1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-8-amine (PubChem CID 115095942) 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-1λ6,4-benzothiazin-8-amine.

Molecular Properties

Compound Name1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-8-amine
PubChem CID115095942
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-8-amine
SMILESNc1cccc2c1S(=O)(=O)CCN2
InChIInChI=1S/C8H10N2O2S/c9-6-2-1-3-7-8(6)13(11,12)5-4-10-7/h1-3,10H,4-5,9H2
InChIKeyGQSMTYWTRYOZOG-UHFFFAOYSA-N
XLogP0.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(trifluoromethyl)-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 115094955
8-amino-1,1-dioxo-3,4-dihydro-1λ6,4-benzothiazin-2-one
CID 115095914
9-fluoro-2,3,4,5-tetrahydro-1λ6,5-benzothiazepine 1,1-dioxide
CID 83821517
1,1-dioxo-2,3,4,5-tetrahydro-1λ6,5-benzothiazepine-9-carboxylic acid
CID 115098598
(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromene-4,8-diamine
CID 131037945
5-amino-2,3-dihydro-1H-quinolin-4-one
CID 130045561
1,1-dioxo-2H-thiochromen-8-amine
CID 57136050
1,2,3,5-tetrahydro-4λ6,1-benzothiazepine 4,4-dioxide;hydrochloride
CID 72942385
6,7-dichloro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 105357315
5-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84621585
1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-7-carboxylic acid
CID 115096119
7-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84621580

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-8-amine?
The IUPAC name of 1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-8-amine (CID 115095942) is 1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-8-amine.
What is the SMILES notation for 1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-8-amine?
The canonical SMILES for 1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-8-amine is Nc1cccc2c1S(=O)(=O)CCN2.
What is the InChIKey of 1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-8-amine?
The InChIKey is GQSMTYWTRYOZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c9-6-2-1-3-7-8(6)13(11,12)5-4-10-7/h1-3,10H,4-5,9H2.
What are the key properties of 1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-8-amine?
1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-8-amine has a molecular weight of 198.25 g/mol, XLogP of 0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-8-amine is sourced from PubChem (CID 115095942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).