5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophene-2-carboxylic acid

C14H22N2O2S — CID 79319599

IUPAC5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophene-2-carboxylic acid
SMILESCCN1CCCC1CN(C)Cc1ccc(C(=O)O)s1
InChIInChI=1S/C14H22N2O2S/c1-3-16-8-4-5-11(16)9-15(2)10-12-6-7-13(19-12)14(17)18/h6-7,11H,3-5,8-10H2,1-2H3,(H,17,18)
InChIKeyOPLDLMOYVLQLPK-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.36
Rot. Bonds6

About 5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophene-2-carboxylic acid

5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophene-2-carboxylic acid (PubChem CID 79319599) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophene-2-carboxylic acid
PubChem CID79319599
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophene-2-carboxylic acid
SMILESCCN1CCCC1CN(C)Cc1ccc(C(=O)O)s1
InChIInChI=1S/C14H22N2O2S/c1-3-16-8-4-5-11(16)9-15(2)10-12-6-7-13(19-12)14(17)18/h6-7,11H,3-5,8-10H2,1-2H3,(H,17,18)
InChIKeyOPLDLMOYVLQLPK-UHFFFAOYSA-N
XLogP2.36
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophen-2-yl]prop-2-enoic acid
CID 79308778
3-[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 79315415
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]benzoic acid
CID 79319788
3-[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-amine
CID 79315064
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-fluorobenzoic acid
CID 79311848
4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carbohydrazide
CID 80722173
4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid
CID 124511772
5-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carboxylic acid
CID 63377803
N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303419
2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 79319869
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
CID 113377335
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline
CID 79303405

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophene-2-carboxylic acid (CID 79319599) is 5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophene-2-carboxylic acid is CCN1CCCC1CN(C)Cc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophene-2-carboxylic acid?
The InChIKey is OPLDLMOYVLQLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-16-8-4-5-11(16)9-15(2)10-12-6-7-13(19-12)14(17)18/h6-7,11H,3-5,8-10H2,1-2H3,(H,17,18).
What are the key properties of 5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophene-2-carboxylic acid?
5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophene-2-carboxylic acid has a molecular weight of 282.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 79319599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).