2-(1-benzothiophen-3-ylamino)acetaldehyde

C10H9NOS — CID 19912856

IUPAC2-(1-benzothiophen-3-ylamino)acetaldehyde
SMILESO=CCNc1csc2ccccc12
InChIInChI=1S/C10H9NOS/c12-6-5-11-9-7-13-10-4-2-1-3-8(9)10/h1-4,6-7,11H,5H2
InChIKeyWMZJFLVBZZYJJY-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.51
Rot. Bonds3

About 2-(1-benzothiophen-3-ylamino)acetaldehyde

2-(1-benzothiophen-3-ylamino)acetaldehyde (PubChem CID 19912856) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-ylamino)acetaldehyde.

Molecular Properties

Compound Name2-(1-benzothiophen-3-ylamino)acetaldehyde
PubChem CID19912856
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name2-(1-benzothiophen-3-ylamino)acetaldehyde
SMILESO=CCNc1csc2ccccc12
InChIInChI=1S/C10H9NOS/c12-6-5-11-9-7-13-10-4-2-1-3-8(9)10/h1-4,6-7,11H,5H2
InChIKeyWMZJFLVBZZYJJY-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-ylamino)acetaldehyde?
The IUPAC name of 2-(1-benzothiophen-3-ylamino)acetaldehyde (CID 19912856) is 2-(1-benzothiophen-3-ylamino)acetaldehyde.
What is the SMILES notation for 2-(1-benzothiophen-3-ylamino)acetaldehyde?
The canonical SMILES for 2-(1-benzothiophen-3-ylamino)acetaldehyde is O=CCNc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-ylamino)acetaldehyde?
The InChIKey is WMZJFLVBZZYJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c12-6-5-11-9-7-13-10-4-2-1-3-8(9)10/h1-4,6-7,11H,5H2.
What are the key properties of 2-(1-benzothiophen-3-ylamino)acetaldehyde?
2-(1-benzothiophen-3-ylamino)acetaldehyde has a molecular weight of 191.25 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-ylamino)acetaldehyde is sourced from PubChem (CID 19912856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).