3-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-2-carboxylic acid

C14H21NO2S — CID 103257519

IUPAC3-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-2-carboxylic acid
SMILESC[C@H](NCc1ccsc1C(=O)O)C1CCCCC1
InChIInChI=1S/C14H21NO2S/c1-10(11-5-3-2-4-6-11)15-9-12-7-8-18-13(12)14(16)17/h7-8,10-11,15H,2-6,9H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyHUYCVDLHKDGYKS-JTQLQIEISA-N
MW267.39 g/mol
LogP3.50
Rot. Bonds5

About 3-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-2-carboxylic acid

3-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-2-carboxylic acid (PubChem CID 103257519) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-2-carboxylic acid
PubChem CID103257519
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name3-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-2-carboxylic acid
SMILESC[C@H](NCc1ccsc1C(=O)O)C1CCCCC1
InChIInChI=1S/C14H21NO2S/c1-10(11-5-3-2-4-6-11)15-9-12-7-8-18-13(12)14(16)17/h7-8,10-11,15H,2-6,9H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyHUYCVDLHKDGYKS-JTQLQIEISA-N
XLogP3.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[[(1S)-1-cyclohexylethyl]amino]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

4-[(1-cyclohexylethylamino)methyl]-5-methylthiophene-2-carboxylic acid
CID 103249963
3-[(cyclohexylmethylamino)methyl]thiophene-2-carboxylic acid
CID 103237843
3-[(2-methylpentan-3-ylamino)methyl]thiophene-2-carboxylic acid
CID 103244165
2-[5-[[[(1R)-1-cyclohexylethyl]amino]methyl]thiophen-2-yl]acetic acid
CID 82887623
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]benzoic acid
CID 81389676
3-[(3-ethylpentan-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 103250747
2-[4-[[[(1R)-1-cycloheptylethyl]amino]methyl]phenyl]acetic acid
CID 103257924
3-[[[(1R)-1-cyclopentylethyl]amino]methyl]-4-fluorobenzoic acid
CID 107453171
3-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103254041
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
N-[(3-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
CID 63491927
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
CID 81386738

Frequently Asked Questions

What is the IUPAC name of 3-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-2-carboxylic acid (CID 103257519) is 3-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-2-carboxylic acid is C[C@H](NCc1ccsc1C(=O)O)C1CCCCC1.
What is the InChIKey of 3-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is HUYCVDLHKDGYKS-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10(11-5-3-2-4-6-11)15-9-12-7-8-18-13(12)14(16)17/h7-8,10-11,15H,2-6,9H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 3-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-2-carboxylic acid?
3-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 267.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103257519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).