2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride

C11H16BrClN2OS — CID 119730015

IUPAC2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC1C(=O)NCc1ccc(Br)s1
InChIInChI=1S/C11H15BrN2OS.ClH/c12-10-5-4-7(16-10)6-14-11(15)8-2-1-3-9(8)13;/h4-5,8-9H,1-3,6,13H2,(H,14,15);1H
InChIKeyKATMBPBQEIGYHL-UHFFFAOYSA-N
MW339.69 g/mol
LogP2.68
Rot. Bonds3

About 2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride

2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119730015) has the molecular formula C11H16BrClN2OS and a molecular weight of 339.69 g/mol. Its IUPAC name is 2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119730015
Molecular FormulaC11H16BrClN2OS
Molecular Weight339.69 g/mol
Exact Mass337.99
IUPAC Name2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC1C(=O)NCc1ccc(Br)s1
InChIInChI=1S/C11H15BrN2OS.ClH/c12-10-5-4-7(16-10)6-14-11(15)8-2-1-3-9(8)13;/h4-5,8-9H,1-3,6,13H2,(H,14,15);1H
InChIKeyKATMBPBQEIGYHL-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731564
N-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide
CID 32775478
2-[(5-bromothiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64817149
4-amino-N-[(5-bromothiophen-2-yl)methyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628561
4-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 79208355
N-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 63714977
1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119292901
2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82765475
1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide
CID 81173121
(3S)-N-[(5-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
CID 81129935
N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014093
2-amino-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 64824475

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119730015) is 2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCCC1C(=O)NCc1ccc(Br)s1.
What is the InChIKey of 2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is KATMBPBQEIGYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS.ClH/c12-10-5-4-7(16-10)6-14-11(15)8-2-1-3-9(8)13;/h4-5,8-9H,1-3,6,13H2,(H,14,15);1H.
What are the key properties of 2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 339.69 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119730015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).