5-[(dimethylamino)methyl]thiophene-3-carbaldehyde

C8H11NOS — CID 82412716

IUPAC5-[(dimethylamino)methyl]thiophene-3-carbaldehyde
SMILESCN(C)Cc1cc(C=O)cs1
InChIInChI=1S/C8H11NOS/c1-9(2)4-8-3-7(5-10)6-11-8/h3,5-6H,4H2,1-2H3
InChIKeyCSLQIKQONIJSFI-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.62
Rot. Bonds3

About 5-[(dimethylamino)methyl]thiophene-3-carbaldehyde

5-[(dimethylamino)methyl]thiophene-3-carbaldehyde (PubChem CID 82412716) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]thiophene-3-carbaldehyde.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]thiophene-3-carbaldehyde
PubChem CID82412716
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name5-[(dimethylamino)methyl]thiophene-3-carbaldehyde
SMILESCN(C)Cc1cc(C=O)cs1
InChIInChI=1S/C8H11NOS/c1-9(2)4-8-3-7(5-10)6-11-8/h3,5-6H,4H2,1-2H3
InChIKeyCSLQIKQONIJSFI-UHFFFAOYSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-butylthiophene-3-carbaldehyde
CID 91750489
5-[2-(dimethylamino)acetyl]thiophene-3-carbaldehyde
CID 55271946
5-[(4-oxopiperidin-1-yl)methyl]thiophene-3-carbaldehyde
CID 82391964
5-pentan-3-ylthiophene-3-carbaldehyde
CID 82407564
5-sulfanylthiophene-3-carbaldehyde
CID 139909673
(E)-3-[5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]thiophen-3-yl]prop-2-enoic acid
CID 103190755
(E)-3-[5-[[5-hydroxypentyl(methyl)amino]methyl]thiophen-3-yl]prop-2-enoic acid
CID 107203704
3-[5-[[cyclopentyl(methyl)amino]methyl]thiophen-3-yl]prop-2-enoic acid
CID 76918697
5-(2-trimethylsilylethynyl)thiophene-3-carbaldehyde
CID 167716780
2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde;ethane
CID 142947803
2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde
CID 62053063
4-bromo-2-methylthiophene;5-methylthiophene-3-carbaldehyde
CID 158194298

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]thiophene-3-carbaldehyde?
The IUPAC name of 5-[(dimethylamino)methyl]thiophene-3-carbaldehyde (CID 82412716) is 5-[(dimethylamino)methyl]thiophene-3-carbaldehyde.
What is the SMILES notation for 5-[(dimethylamino)methyl]thiophene-3-carbaldehyde?
The canonical SMILES for 5-[(dimethylamino)methyl]thiophene-3-carbaldehyde is CN(C)Cc1cc(C=O)cs1.
What is the InChIKey of 5-[(dimethylamino)methyl]thiophene-3-carbaldehyde?
The InChIKey is CSLQIKQONIJSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-9(2)4-8-3-7(5-10)6-11-8/h3,5-6H,4H2,1-2H3.
What are the key properties of 5-[(dimethylamino)methyl]thiophene-3-carbaldehyde?
5-[(dimethylamino)methyl]thiophene-3-carbaldehyde has a molecular weight of 169.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]thiophene-3-carbaldehyde is sourced from PubChem (CID 82412716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).