5-[2-(dimethylamino)acetyl]thiophene-3-carbaldehyde

C9H11NO2S — CID 55271946

IUPAC5-[2-(dimethylamino)acetyl]thiophene-3-carbaldehyde
SMILESCN(C)CC(=O)c1cc(C=O)cs1
InChIInChI=1S/C9H11NO2S/c1-10(2)4-8(12)9-3-7(5-11)6-13-9/h3,5-6H,4H2,1-2H3
InChIKeyNPELPXTWXAPHLV-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.30
Rot. Bonds4

About 5-[2-(dimethylamino)acetyl]thiophene-3-carbaldehyde

5-[2-(dimethylamino)acetyl]thiophene-3-carbaldehyde (PubChem CID 55271946) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 5-[2-(dimethylamino)acetyl]thiophene-3-carbaldehyde.

Molecular Properties

Compound Name5-[2-(dimethylamino)acetyl]thiophene-3-carbaldehyde
PubChem CID55271946
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name5-[2-(dimethylamino)acetyl]thiophene-3-carbaldehyde
SMILESCN(C)CC(=O)c1cc(C=O)cs1
InChIInChI=1S/C9H11NO2S/c1-10(2)4-8(12)9-3-7(5-11)6-13-9/h3,5-6H,4H2,1-2H3
InChIKeyNPELPXTWXAPHLV-UHFFFAOYSA-N
XLogP1.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)acetyl]thiophene-3-carbaldehyde?
The IUPAC name of 5-[2-(dimethylamino)acetyl]thiophene-3-carbaldehyde (CID 55271946) is 5-[2-(dimethylamino)acetyl]thiophene-3-carbaldehyde.
What is the SMILES notation for 5-[2-(dimethylamino)acetyl]thiophene-3-carbaldehyde?
The canonical SMILES for 5-[2-(dimethylamino)acetyl]thiophene-3-carbaldehyde is CN(C)CC(=O)c1cc(C=O)cs1.
What is the InChIKey of 5-[2-(dimethylamino)acetyl]thiophene-3-carbaldehyde?
The InChIKey is NPELPXTWXAPHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-10(2)4-8(12)9-3-7(5-11)6-13-9/h3,5-6H,4H2,1-2H3.
What are the key properties of 5-[2-(dimethylamino)acetyl]thiophene-3-carbaldehyde?
5-[2-(dimethylamino)acetyl]thiophene-3-carbaldehyde has a molecular weight of 197.26 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)acetyl]thiophene-3-carbaldehyde is sourced from PubChem (CID 55271946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).