1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine

C7H8N2O2S — CID 25067843

IUPAC1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine
SMILESNc1ccc2c(c1)S(=O)(=O)NC2
InChIInChI=1S/C7H8N2O2S/c8-6-2-1-5-4-9-12(10,11)7(5)3-6/h1-3,9H,4,8H2
InChIKeyMJRBDTGIFOARNW-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.06
Rot. Bonds

About 1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine

1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine (PubChem CID 25067843) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine.

Molecular Properties

Compound Name1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine
PubChem CID25067843
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine
SMILESNc1ccc2c(c1)S(=O)(=O)NC2
InChIInChI=1S/C7H8N2O2S/c8-6-2-1-5-4-9-12(10,11)7(5)3-6/h1-3,9H,4,8H2
InChIKeyMJRBDTGIFOARNW-UHFFFAOYSA-N
XLogP0.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine?
The IUPAC name of 1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine (CID 25067843) is 1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine.
What is the SMILES notation for 1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine?
The canonical SMILES for 1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine is Nc1ccc2c(c1)S(=O)(=O)NC2.
What is the InChIKey of 1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine?
The InChIKey is MJRBDTGIFOARNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c8-6-2-1-5-4-9-12(10,11)7(5)3-6/h1-3,9H,4,8H2.
What are the key properties of 1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine?
1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine has a molecular weight of 184.22 g/mol, XLogP of 0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine is sourced from PubChem (CID 25067843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).