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

C8H10N2O2S — CID 89340786

IUPACN-methyl-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine
SMILESCNc1ccc2c(c1)S(=O)(=O)NC2
InChIInChI=1S/C8H10N2O2S/c1-9-7-3-2-6-5-10-13(11,12)8(6)4-7/h2-4,9-10H,5H2,1H3
InChIKeyBQNBFSUMUKXWPY-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.52
Rot. Bonds1

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

N-methyl-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine (PubChem CID 89340786) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is N-methyl-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine.

Molecular Properties

Compound NameN-methyl-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine
PubChem CID89340786
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC NameN-methyl-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine
SMILESCNc1ccc2c(c1)S(=O)(=O)NC2
InChIInChI=1S/C8H10N2O2S/c1-9-7-3-2-6-5-10-13(11,12)8(6)4-7/h2-4,9-10H,5H2,1H3
InChIKeyBQNBFSUMUKXWPY-UHFFFAOYSA-N
XLogP0.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine?
The IUPAC name of N-methyl-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine (CID 89340786) is N-methyl-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine.
What is the SMILES notation for N-methyl-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine?
The canonical SMILES for N-methyl-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine is CNc1ccc2c(c1)S(=O)(=O)NC2.
What is the InChIKey of N-methyl-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine?
The InChIKey is BQNBFSUMUKXWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-9-7-3-2-6-5-10-13(11,12)8(6)4-7/h2-4,9-10H,5H2,1H3.
What are the key properties of N-methyl-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine?
N-methyl-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine has a molecular weight of 198.25 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine is sourced from PubChem (CID 89340786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).