2-amino-N-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride

C11H16BrClN2OS — CID 119731564

IUPAC2-amino-N-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC1C(=O)NCc1cc(Br)cs1
InChIInChI=1S/C11H15BrN2OS.ClH/c12-7-4-8(16-6-7)5-14-11(15)9-2-1-3-10(9)13;/h4,6,9-10H,1-3,5,13H2,(H,14,15);1H
InChIKeyDCXCBXIBORYQAQ-UHFFFAOYSA-N
MW339.69 g/mol
LogP2.68
Rot. Bonds3

About 2-amino-N-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride

2-amino-N-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119731564) has the molecular formula C11H16BrClN2OS and a molecular weight of 339.69 g/mol. Its IUPAC name is 2-amino-N-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119731564
Molecular FormulaC11H16BrClN2OS
Molecular Weight339.69 g/mol
Exact Mass337.99
IUPAC Name2-amino-N-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC1C(=O)NCc1cc(Br)cs1
InChIInChI=1S/C11H15BrN2OS.ClH/c12-7-4-8(16-6-7)5-14-11(15)9-2-1-3-10(9)13;/h4,6,9-10H,1-3,5,13H2,(H,14,15);1H
InChIKeyDCXCBXIBORYQAQ-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-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978822
cis-(1S,2R)-2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114092399
3-amino-N-[(4-bromothiophen-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119731570
2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119730015
N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide
CID 47250199
1-(2-aminocycloheptyl)-2-(4-bromothiophen-2-yl)ethanone
CID 116595278
(2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide
CID 103872325
N-[(4-bromothiophen-2-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 47250169
2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119775473
N-[(4-bromothiophen-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 47250589
2-amino-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 64824475
2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 64823496

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 2-amino-N-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119731564) is 2-amino-N-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCCC1C(=O)NCc1cc(Br)cs1.
What is the InChIKey of 2-amino-N-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is DCXCBXIBORYQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS.ClH/c12-7-4-8(16-6-7)5-14-11(15)9-2-1-3-10(9)13;/h4,6,9-10H,1-3,5,13H2,(H,14,15);1H.
What are the key properties of 2-amino-N-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
2-amino-N-[(4-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-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119731564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).