5-[2-(dimethylamino)ethyl]-2-methoxythiophene-3-carbaldehyde

C10H15NO2S — CID 12646496

IUPAC5-[2-(dimethylamino)ethyl]-2-methoxythiophene-3-carbaldehyde
SMILESCOc1sc(CCN(C)C)cc1C=O
InChIInChI=1S/C10H15NO2S/c1-11(2)5-4-9-6-8(7-12)10(13-3)14-9/h6-7H,4-5H2,1-3H3
InChIKeyMNOPSYYSKKPOGR-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.67
Rot. Bonds5

About 5-[2-(dimethylamino)ethyl]-2-methoxythiophene-3-carbaldehyde

5-[2-(dimethylamino)ethyl]-2-methoxythiophene-3-carbaldehyde (PubChem CID 12646496) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-2-methoxythiophene-3-carbaldehyde.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-2-methoxythiophene-3-carbaldehyde
PubChem CID12646496
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name5-[2-(dimethylamino)ethyl]-2-methoxythiophene-3-carbaldehyde
SMILESCOc1sc(CCN(C)C)cc1C=O
InChIInChI=1S/C10H15NO2S/c1-11(2)5-4-9-6-8(7-12)10(13-3)14-9/h6-7H,4-5H2,1-3H3
InChIKeyMNOPSYYSKKPOGR-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(dimethylamino)ethyl]-2,5-dimethoxybenzaldehyde
CID 141409566
2-[3-(dimethylamino)propoxy]-4-methoxybenzaldehyde
CID 22684190
2-[2-(dimethylamino)ethyl]-1,3-oxazole-5-carbaldehyde
CID 115087536
2-[2-(dimethylamino)ethyl]-1-benzothiophen-7-ol
CID 84687111
2,5-bis[(dimethylamino)methoxy]terephthalaldehyde
CID 130416987
4-bromo-2-[2-(dimethylamino)ethyl-methylamino]benzaldehyde
CID 63695233
4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde
CID 43516597
4-bromo-2-[3-(dimethylamino)propyl-methylamino]benzaldehyde
CID 63695237
5-[2-(dimethylamino)ethoxy]-2-nitrobenzaldehyde
CID 11708505
3-[2-(dimethylamino)ethyl]-1-methylpyrazole-5-carbaldehyde
CID 83817035
2-[5-(dimethylamino)pentoxy]benzaldehyde
CID 21404637
2-[2-(dimethylamino)ethoxy]-5-(4-methylphenyl)benzaldehyde
CID 87737379

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]-2-methoxythiophene-3-carbaldehyde?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-2-methoxythiophene-3-carbaldehyde (CID 12646496) is 5-[2-(dimethylamino)ethyl]-2-methoxythiophene-3-carbaldehyde.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-2-methoxythiophene-3-carbaldehyde?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-2-methoxythiophene-3-carbaldehyde is COc1sc(CCN(C)C)cc1C=O.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-2-methoxythiophene-3-carbaldehyde?
The InChIKey is MNOPSYYSKKPOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-11(2)5-4-9-6-8(7-12)10(13-3)14-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-[2-(dimethylamino)ethyl]-2-methoxythiophene-3-carbaldehyde?
5-[2-(dimethylamino)ethyl]-2-methoxythiophene-3-carbaldehyde has a molecular weight of 213.30 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-2-methoxythiophene-3-carbaldehyde is sourced from PubChem (CID 12646496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).