6-(aminomethyl)-1-benzothiophene-2-carbaldehyde;methanol

C11H13NO2S — CID 143318419

IUPAC6-(aminomethyl)-1-benzothiophene-2-carbaldehyde;methanol
SMILESCO.NCc1ccc2cc(C=O)sc2c1
InChIInChI=1S/C10H9NOS.CH4O/c11-5-7-1-2-8-4-9(6-12)13-10(8)3-7;1-2/h1-4,6H,5,11H2;2H,1H3
InChIKeyGTKXEUZIVSVOLT-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.78
Rot. Bonds2

About 6-(aminomethyl)-1-benzothiophene-2-carbaldehyde;methanol

6-(aminomethyl)-1-benzothiophene-2-carbaldehyde;methanol (PubChem CID 143318419) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 6-(aminomethyl)-1-benzothiophene-2-carbaldehyde;methanol.

Molecular Properties

Compound Name6-(aminomethyl)-1-benzothiophene-2-carbaldehyde;methanol
PubChem CID143318419
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name6-(aminomethyl)-1-benzothiophene-2-carbaldehyde;methanol
SMILESCO.NCc1ccc2cc(C=O)sc2c1
InChIInChI=1S/C10H9NOS.CH4O/c11-5-7-1-2-8-4-9(6-12)13-10(8)3-7;1-2/h1-4,6H,5,11H2;2H,1H3
InChIKeyGTKXEUZIVSVOLT-UHFFFAOYSA-N
XLogP1.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(aminomethyl)-1-benzothiophene-2-carbaldehyde;methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-butyl-1-benzothiophene-2-carbaldehyde
CID 118228972
(2-ethyl-1-benzothiophen-6-yl)methanamine
CID 84663632
(2-cyclopropyl-1-benzothiophen-6-yl)methanamine
CID 84671842
[2-(ethoxymethyl)-1-benzothiophen-6-yl]methanamine
CID 117179712
5-(hydroxymethyl)-6-methyl-1-benzothiophene-2-carbaldehyde
CID 131196044
[6-(aminomethyl)naphthalen-2-yl]methanamine
CID 67748708
6-chlorothieno[2,3-b]pyridine-2-carbaldehyde;methanol
CID 177202395
5-hydroxy-6-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde
CID 130821284
6-(hydroxymethyl)-4-methyl-1-benzothiophene-2-carbaldehyde
CID 130900261
7-amino-5-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde
CID 131218696
benzo[e][1]benzothiole-2-carbaldehyde
CID 13128317
[2-[(2-methoxyphenoxy)methyl]-1-benzothiophen-6-yl]methanamine
CID 117179697

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-1-benzothiophene-2-carbaldehyde;methanol?
The IUPAC name of 6-(aminomethyl)-1-benzothiophene-2-carbaldehyde;methanol (CID 143318419) is 6-(aminomethyl)-1-benzothiophene-2-carbaldehyde;methanol.
What is the SMILES notation for 6-(aminomethyl)-1-benzothiophene-2-carbaldehyde;methanol?
The canonical SMILES for 6-(aminomethyl)-1-benzothiophene-2-carbaldehyde;methanol is CO.NCc1ccc2cc(C=O)sc2c1.
What is the InChIKey of 6-(aminomethyl)-1-benzothiophene-2-carbaldehyde;methanol?
The InChIKey is GTKXEUZIVSVOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS.CH4O/c11-5-7-1-2-8-4-9(6-12)13-10(8)3-7;1-2/h1-4,6H,5,11H2;2H,1H3.
What are the key properties of 6-(aminomethyl)-1-benzothiophene-2-carbaldehyde;methanol?
6-(aminomethyl)-1-benzothiophene-2-carbaldehyde;methanol has a molecular weight of 223.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-1-benzothiophene-2-carbaldehyde;methanol is sourced from PubChem (CID 143318419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).