1-oxo-1λ4,2-benzothiazin-2-amine

C8H8N2OS — CID 175639845

IUPAC1-oxo-1λ4,2-benzothiazin-2-amine
SMILESNN1C=Cc2ccccc2S1=O
InChIInChI=1S/C8H8N2OS/c9-10-6-5-7-3-1-2-4-8(7)12(10)11/h1-6H,9H2
InChIKeySQDMSNHFJRGFSS-UHFFFAOYSA-N
MW180.23 g/mol
LogP0.87
Rot. Bonds

About 1-oxo-1λ4,2-benzothiazin-2-amine

1-oxo-1λ4,2-benzothiazin-2-amine (PubChem CID 175639845) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 1-oxo-1λ4,2-benzothiazin-2-amine.

Molecular Properties

Compound Name1-oxo-1λ4,2-benzothiazin-2-amine
PubChem CID175639845
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name1-oxo-1λ4,2-benzothiazin-2-amine
SMILESNN1C=Cc2ccccc2S1=O
InChIInChI=1S/C8H8N2OS/c9-10-6-5-7-3-1-2-4-8(7)12(10)11/h1-6H,9H2
InChIKeySQDMSNHFJRGFSS-UHFFFAOYSA-N
XLogP0.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzothiazepinone
CID 18378675
Benzothiazinone
CID 54075749
Benzothiadiazinone
CID 66587390
Benzothiazinethione
CID 67293599
Benzothiadiazepinone
CID 129671304
2-Piperazino-benzothiazinone
CID 129864079
Triazolyl benzothiadiazine-1-oxide
CID 171854998
2H-1,2,3-benzothiadiazocine
CID 21525480
2-Methyl-1lambda4,2,3-benzothiadiazine 1-oxide
CID 67786149
7-pentyl-2H-1lambda4,2-benzothiazine 1-oxide
CID 69460133
6-pentyl-2H-1lambda4,2-benzothiazine 1-oxide
CID 69460967
1-oxo-N-pentyl-1lambda4,2-benzothiazin-2-amine
CID 70067217

Frequently Asked Questions

What is the IUPAC name of 1-oxo-1λ4,2-benzothiazin-2-amine?
The IUPAC name of 1-oxo-1λ4,2-benzothiazin-2-amine (CID 175639845) is 1-oxo-1λ4,2-benzothiazin-2-amine.
What is the SMILES notation for 1-oxo-1λ4,2-benzothiazin-2-amine?
The canonical SMILES for 1-oxo-1λ4,2-benzothiazin-2-amine is NN1C=Cc2ccccc2S1=O.
What is the InChIKey of 1-oxo-1λ4,2-benzothiazin-2-amine?
The InChIKey is SQDMSNHFJRGFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c9-10-6-5-7-3-1-2-4-8(7)12(10)11/h1-6H,9H2.
What are the key properties of 1-oxo-1λ4,2-benzothiazin-2-amine?
1-oxo-1λ4,2-benzothiazin-2-amine has a molecular weight of 180.23 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-1λ4,2-benzothiazin-2-amine is sourced from PubChem (CID 175639845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).