N-[2-(aminomethyl)cyclopentyl]-4-bromothiophene-2-carboxamide;hydrochloride

C11H16BrClN2OS — CID 119600817

IUPACN-[2-(aminomethyl)cyclopentyl]-4-bromothiophene-2-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1cc(Br)cs1
InChIInChI=1S/C11H15BrN2OS.ClH/c12-8-4-10(16-6-8)11(15)14-9-3-1-2-7(9)5-13;/h4,6-7,9H,1-3,5,13H2,(H,14,15);1H
InChIKeySJTUHSVOMQTJGF-UHFFFAOYSA-N
MW339.69 g/mol
LogP2.79
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-4-bromothiophene-2-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-4-bromothiophene-2-carboxamide;hydrochloride (PubChem CID 119600817) has the molecular formula C11H16BrClN2OS and a molecular weight of 339.69 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-bromothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-bromothiophene-2-carboxamide;hydrochloride
PubChem CID119600817
Molecular FormulaC11H16BrClN2OS
Molecular Weight339.69 g/mol
Exact Mass337.99
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-bromothiophene-2-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1cc(Br)cs1
InChIInChI=1S/C11H15BrN2OS.ClH/c12-8-4-10(16-6-8)11(15)14-9-3-1-2-7(9)5-13;/h4,6-7,9H,1-3,5,13H2,(H,14,15);1H
InChIKeySJTUHSVOMQTJGF-UHFFFAOYSA-N
XLogP2.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.69
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[2-(aminomethyl)cyclopentyl]thiophene-2-carboxamide;hydrochloride
CID 119600925
N-[2-(aminomethyl)cyclopentyl]-5-iodothiophene-3-carboxamide;hydrochloride
CID 119601552
4-bromo-N-cyclopentylthiophene-2-carboxamide
CID 110763431
N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide
CID 107940016
N-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide
CID 79692726
N-[2-(aminomethyl)cyclopentyl]-5-bromo-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119604671
N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride
CID 119612232
N-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 119609795
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide
CID 119600547
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119604473
N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromothiophene-2-carboxamide;hydrochloride
CID 119572469

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-bromothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-bromothiophene-2-carboxamide;hydrochloride (CID 119600817) is N-[2-(aminomethyl)cyclopentyl]-4-bromothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-bromothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-bromothiophene-2-carboxamide;hydrochloride is Cl.NCC1CCCC1NC(=O)c1cc(Br)cs1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-bromothiophene-2-carboxamide;hydrochloride?
The InChIKey is SJTUHSVOMQTJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS.ClH/c12-8-4-10(16-6-8)11(15)14-9-3-1-2-7(9)5-13;/h4,6-7,9H,1-3,5,13H2,(H,14,15);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-bromothiophene-2-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-4-bromothiophene-2-carboxamide;hydrochloride has a molecular weight of 339.69 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4-bromothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119600817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).