5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid

C11H15NO2S — CID 103238535

IUPAC5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid
SMILESCC(NCc1ccc(C(=O)O)s1)C1CC1
InChIInChI=1S/C11H15NO2S/c1-7(8-2-3-8)12-6-9-4-5-10(15-9)11(13)14/h4-5,7-8,12H,2-3,6H2,1H3,(H,13,14)
InChIKeyNUSIYRYGWMSZFX-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.33
Rot. Bonds5

About 5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid

5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid (PubChem CID 103238535) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid
PubChem CID103238535
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid
SMILESCC(NCc1ccc(C(=O)O)s1)C1CC1
InChIInChI=1S/C11H15NO2S/c1-7(8-2-3-8)12-6-9-4-5-10(15-9)11(13)14/h4-5,7-8,12H,2-3,6H2,1H3,(H,13,14)
InChIKeyNUSIYRYGWMSZFX-UHFFFAOYSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[[[(1R)-1-cyclohexylethyl]amino]methyl]thiophen-2-yl]acetic acid
CID 82887623
5-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110600
5-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110260
5-[(heptan-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 103247320
5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-2-carboxylic acid
CID 103245719
5-[(4-methylsulfanylbutan-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 103265848
5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103258908
5-[(4-ethylsulfanylbutan-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 103268666
methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate
CID 82888205
5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103258542
(1S)-1-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 81386418
5-[(2-cycloheptyloxypropanoylamino)methyl]thiophene-2-carboxylic acid
CID 122110467

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid (CID 103238535) is 5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid is CC(NCc1ccc(C(=O)O)s1)C1CC1.
What is the InChIKey of 5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid?
The InChIKey is NUSIYRYGWMSZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7(8-2-3-8)12-6-9-4-5-10(15-9)11(13)14/h4-5,7-8,12H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid?
5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid has a molecular weight of 225.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103238535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).