5-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride

C6H8ClNO2S — CID 70086882

IUPAC5-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride
SMILESCl.NCc1ccc(C(=O)O)s1
InChIInChI=1S/C6H7NO2S.ClH/c7-3-4-1-2-5(10-4)6(8)9;/h1-2H,3,7H2,(H,8,9);1H
InChIKeyNEYRDYBEEBKYIF-UHFFFAOYSA-N
MW193.66 g/mol
LogP1.33
Rot. Bonds2

About 5-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride

5-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride (PubChem CID 70086882) has the molecular formula C6H8ClNO2S and a molecular weight of 193.66 g/mol. Its IUPAC name is 5-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride
PubChem CID70086882
Molecular FormulaC6H8ClNO2S
Molecular Weight193.66 g/mol
Exact Mass193.00
IUPAC Name5-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride
SMILESCl.NCc1ccc(C(=O)O)s1
InChIInChI=1S/C6H7NO2S.ClH/c7-3-4-1-2-5(10-4)6(8)9;/h1-2H,3,7H2,(H,8,9);1H
InChIKeyNEYRDYBEEBKYIF-UHFFFAOYSA-N
XLogP1.33
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.66
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride (CID 70086882) is 5-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride is Cl.NCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride?
The InChIKey is NEYRDYBEEBKYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S.ClH/c7-3-4-1-2-5(10-4)6(8)9;/h1-2H,3,7H2,(H,8,9);1H.
What are the key properties of 5-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride?
5-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride has a molecular weight of 193.66 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 70086882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).