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

C7H8N2O2S — CID 57383468

IUPAC1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-amine
SMILESNC1NS(=O)(=O)c2ccccc21
InChIInChI=1S/C7H8N2O2S/c8-7-5-3-1-2-4-6(5)12(10,11)9-7/h1-4,7,9H,8H2
InChIKeyKKHTURXPUAKERT-UHFFFAOYSA-N
MW184.22 g/mol
LogP-0.06
Rot. Bonds

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

1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-amine (PubChem CID 57383468) 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-3-amine.

Molecular Properties

Compound Name1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-amine
PubChem CID57383468
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-amine
SMILESNC1NS(=O)(=O)c2ccccc21
InChIInChI=1S/C7H8N2O2S/c8-7-5-3-1-2-4-6(5)12(10,11)9-7/h1-4,7,9H,8H2
InChIKeyKKHTURXPUAKERT-UHFFFAOYSA-N
XLogP-0.06
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 ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-amine?
The IUPAC name of 1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-amine (CID 57383468) is 1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-amine.
What is the SMILES notation for 1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-amine?
The canonical SMILES for 1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-amine is NC1NS(=O)(=O)c2ccccc21.
What is the InChIKey of 1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-amine?
The InChIKey is KKHTURXPUAKERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c8-7-5-3-1-2-4-6(5)12(10,11)9-7/h1-4,7,9H,8H2.
What are the key properties of 1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-amine?
1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-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-3-amine is sourced from PubChem (CID 57383468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).