N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

C9H11NO2S — CID 43522827

IUPACN-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESCNC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C9H11NO2S/c1-10-8-6-13(11,12)9-5-3-2-4-7(8)9/h2-5,8,10H,6H2,1H3
InChIKeyMOIJSRIXTSAOOT-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.73
Rot. Bonds1

About N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 43522827) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID43522827
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC NameN-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESCNC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C9H11NO2S/c1-10-8-6-13(11,12)9-5-3-2-4-7(8)9/h2-5,8,10H,6H2,1H3
InChIKeyMOIJSRIXTSAOOT-UHFFFAOYSA-N
XLogP0.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
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-benzothiophen-3-amine?
The IUPAC name of N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (CID 43522827) is N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is CNC1CS(=O)(=O)c2ccccc21.
What is the InChIKey of N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is MOIJSRIXTSAOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-10-8-6-13(11,12)9-5-3-2-4-7(8)9/h2-5,8,10H,6H2,1H3.
What are the key properties of N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 197.26 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 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-benzothiophen-3-amine is sourced from PubChem (CID 43522827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).