5-[2-hydroxyethyl(methyl)amino]thiophene-2-carbaldehyde

C8H11NO2S — CID 11063106

IUPAC5-[2-hydroxyethyl(methyl)amino]thiophene-2-carbaldehyde
SMILESCN(CCO)c1ccc(C=O)s1
InChIInChI=1S/C8H11NO2S/c1-9(4-5-10)8-3-2-7(6-11)12-8/h2-3,6,10H,4-5H2,1H3
InChIKeyNQOPJQKHWVLDJD-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.99
Rot. Bonds4

About 5-[2-hydroxyethyl(methyl)amino]thiophene-2-carbaldehyde

5-[2-hydroxyethyl(methyl)amino]thiophene-2-carbaldehyde (PubChem CID 11063106) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(methyl)amino]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-hydroxyethyl(methyl)amino]thiophene-2-carbaldehyde
PubChem CID11063106
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name5-[2-hydroxyethyl(methyl)amino]thiophene-2-carbaldehyde
SMILESCN(CCO)c1ccc(C=O)s1
InChIInChI=1S/C8H11NO2S/c1-9(4-5-10)8-3-2-7(6-11)12-8/h2-3,6,10H,4-5H2,1H3
InChIKeyNQOPJQKHWVLDJD-UHFFFAOYSA-N
XLogP0.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
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-hydroxyethyl(methyl)amino]thiophene-2-carbaldehyde?
The IUPAC name of 5-[2-hydroxyethyl(methyl)amino]thiophene-2-carbaldehyde (CID 11063106) is 5-[2-hydroxyethyl(methyl)amino]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[2-hydroxyethyl(methyl)amino]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[2-hydroxyethyl(methyl)amino]thiophene-2-carbaldehyde is CN(CCO)c1ccc(C=O)s1.
What is the InChIKey of 5-[2-hydroxyethyl(methyl)amino]thiophene-2-carbaldehyde?
The InChIKey is NQOPJQKHWVLDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-9(4-5-10)8-3-2-7(6-11)12-8/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 5-[2-hydroxyethyl(methyl)amino]thiophene-2-carbaldehyde?
5-[2-hydroxyethyl(methyl)amino]thiophene-2-carbaldehyde has a molecular weight of 185.25 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(methyl)amino]thiophene-2-carbaldehyde is sourced from PubChem (CID 11063106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).