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

C6H8ClNO2S — CID 71449299

IUPAC4-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride
SMILESCl.NCc1csc(C(=O)O)c1
InChIInChI=1S/C6H7NO2S.ClH/c7-2-4-1-5(6(8)9)10-3-4;/h1,3H,2,7H2,(H,8,9);1H
InChIKeyHCHBSQRARVRKLC-UHFFFAOYSA-N
MW193.66 g/mol
LogP1.33
Rot. Bonds2

About 4-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride

4-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride (PubChem CID 71449299) has the molecular formula C6H8ClNO2S and a molecular weight of 193.66 g/mol. Its IUPAC name is 4-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride
PubChem CID71449299
Molecular FormulaC6H8ClNO2S
Molecular Weight193.66 g/mol
Exact Mass193.00
IUPAC Name4-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride
SMILESCl.NCc1csc(C(=O)O)c1
InChIInChI=1S/C6H7NO2S.ClH/c7-2-4-1-5(6(8)9)10-3-4;/h1,3H,2,7H2,(H,8,9);1H
InChIKeyHCHBSQRARVRKLC-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 4-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride (CID 71449299) is 4-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride is Cl.NCc1csc(C(=O)O)c1.
What is the InChIKey of 4-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride?
The InChIKey is HCHBSQRARVRKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S.ClH/c7-2-4-1-5(6(8)9)10-3-4;/h1,3H,2,7H2,(H,8,9);1H.
What are the key properties of 4-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride?
4-(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 4-(aminomethyl)thiophene-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 71449299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).