N-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride

C12H18BrClN2OS — CID 119568475

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride
SMILESCl.NCC1(NC(=O)Cc2ccc(Br)s2)CCCC1
InChIInChI=1S/C12H17BrN2OS.ClH/c13-10-4-3-9(17-10)7-11(16)15-12(8-14)5-1-2-6-12;/h3-4H,1-2,5-8,14H2,(H,15,16);1H
InChIKeySIGPUCXHLXHONZ-UHFFFAOYSA-N
MW353.71 g/mol
LogP2.86
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride (PubChem CID 119568475) has the molecular formula C12H18BrClN2OS and a molecular weight of 353.71 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride
PubChem CID119568475
Molecular FormulaC12H18BrClN2OS
Molecular Weight353.71 g/mol
Exact Mass352.00
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride
SMILESCl.NCC1(NC(=O)Cc2ccc(Br)s2)CCCC1
InChIInChI=1S/C12H17BrN2OS.ClH/c13-10-4-3-9(17-10)7-11(16)15-12(8-14)5-1-2-6-12;/h3-4H,1-2,5-8,14H2,(H,15,16);1H
InChIKeySIGPUCXHLXHONZ-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.71
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide
CID 119568476
N-[1-(aminomethyl)cyclopentyl]-4-(5-bromothiophen-2-yl)butanamide
CID 119568116
N-[3-(aminomethyl)pentan-3-yl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride
CID 119572064
N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylphenyl)acetamide
CID 119564798
N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)acetamide;hydrochloride
CID 119564832
N-[1-(aminomethyl)cyclopentyl]-2-[4-(2-methylpropyl)phenyl]acetamide
CID 119566852
1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119292901
4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120925200
N-[1-(aminomethyl)cyclopentyl]-4-(5-methylthiophen-2-yl)butanamide
CID 119568060
N-[1-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
CID 119568183
N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride
CID 119566788
N-[1-(aminomethyl)cyclopentyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119566169

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride (CID 119568475) is N-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride is Cl.NCC1(NC(=O)Cc2ccc(Br)s2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride?
The InChIKey is SIGPUCXHLXHONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS.ClH/c13-10-4-3-9(17-10)7-11(16)15-12(8-14)5-1-2-6-12;/h3-4H,1-2,5-8,14H2,(H,15,16);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride has a molecular weight of 353.71 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119568475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).