8-amino-1,1-dioxo-3,4-dihydro-1λ6,4-benzothiazin-2-one

C8H8N2O3S — CID 115095914

IUPAC8-amino-1,1-dioxo-3,4-dihydro-1λ6,4-benzothiazin-2-one
SMILESNc1cccc2c1S(=O)(=O)C(=O)CN2
InChIInChI=1S/C8H8N2O3S/c9-5-2-1-3-6-8(5)14(12,13)7(11)4-10-6/h1-3,10H,4,9H2
InChIKeyOEOWSCRJDBTHAD-UHFFFAOYSA-N
MW212.23 g/mol
LogP-0.01
Rot. Bonds

About 8-amino-1,1-dioxo-3,4-dihydro-1λ6,4-benzothiazin-2-one

8-amino-1,1-dioxo-3,4-dihydro-1λ6,4-benzothiazin-2-one (PubChem CID 115095914) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is 8-amino-1,1-dioxo-3,4-dihydro-1λ6,4-benzothiazin-2-one.

Molecular Properties

Compound Name8-amino-1,1-dioxo-3,4-dihydro-1λ6,4-benzothiazin-2-one
PubChem CID115095914
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name8-amino-1,1-dioxo-3,4-dihydro-1λ6,4-benzothiazin-2-one
SMILESNc1cccc2c1S(=O)(=O)C(=O)CN2
InChIInChI=1S/C8H8N2O3S/c9-5-2-1-3-6-8(5)14(12,13)7(11)4-10-6/h1-3,10H,4,9H2
InChIKeyOEOWSCRJDBTHAD-UHFFFAOYSA-N
XLogP-0.01
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-8-amine
CID 115095942
5-methyl-1,1-dioxo-3,4-dihydro-1λ6,4-benzothiazin-2-one
CID 115094758
5-amino-2,3-dihydro-1H-quinolin-4-one
CID 130045561
8-amino-2,4-dihydro-1H-isoquinolin-3-one
CID 124925857
1,1-dioxo-2H-thiochromen-8-amine
CID 57136050
(3R)-5-amino-1,2,3,4-tetrahydroquinolin-3-ol
CID 129379706
5-amino-1,2,3,4-tetrahydroquinolin-3-ol
CID 59216604
1,2-dihydroquinolin-5-amine
CID 141205305
9-fluoro-2,3,4,5-tetrahydro-1λ6,5-benzothiazepine 1,1-dioxide
CID 83821517
(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromene-4,8-diamine
CID 131037945
7-amino-1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one
CID 117003872
8-fluorospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide
CID 115096858

Frequently Asked Questions

What is the IUPAC name of 8-amino-1,1-dioxo-3,4-dihydro-1λ6,4-benzothiazin-2-one?
The IUPAC name of 8-amino-1,1-dioxo-3,4-dihydro-1λ6,4-benzothiazin-2-one (CID 115095914) is 8-amino-1,1-dioxo-3,4-dihydro-1λ6,4-benzothiazin-2-one.
What is the SMILES notation for 8-amino-1,1-dioxo-3,4-dihydro-1λ6,4-benzothiazin-2-one?
The canonical SMILES for 8-amino-1,1-dioxo-3,4-dihydro-1λ6,4-benzothiazin-2-one is Nc1cccc2c1S(=O)(=O)C(=O)CN2.
What is the InChIKey of 8-amino-1,1-dioxo-3,4-dihydro-1λ6,4-benzothiazin-2-one?
The InChIKey is OEOWSCRJDBTHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c9-5-2-1-3-6-8(5)14(12,13)7(11)4-10-6/h1-3,10H,4,9H2.
What are the key properties of 8-amino-1,1-dioxo-3,4-dihydro-1λ6,4-benzothiazin-2-one?
8-amino-1,1-dioxo-3,4-dihydro-1λ6,4-benzothiazin-2-one has a molecular weight of 212.23 g/mol, XLogP of -0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1,1-dioxo-3,4-dihydro-1λ6,4-benzothiazin-2-one is sourced from PubChem (CID 115095914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).