N-[2-(aminomethyl)cyclopentyl]-4-(1-benzothiophen-3-yl)butanamide;hydrochloride

C18H25ClN2OS — CID 119604150

IUPACN-[2-(aminomethyl)cyclopentyl]-4-(1-benzothiophen-3-yl)butanamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)CCCc1csc2ccccc12
InChIInChI=1S/C18H24N2OS.ClH/c19-11-13-5-3-8-16(13)20-18(21)10-4-6-14-12-22-17-9-2-1-7-15(14)17;/h1-2,7,9,12-13,16H,3-6,8,10-11,19H2,(H,20,21);1H
InChIKeyABCIHMJALHXHHI-UHFFFAOYSA-N
MW352.93 g/mol
LogP3.89
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-4-(1-benzothiophen-3-yl)butanamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-4-(1-benzothiophen-3-yl)butanamide;hydrochloride (PubChem CID 119604150) has the molecular formula C18H25ClN2OS and a molecular weight of 352.93 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-(1-benzothiophen-3-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-(1-benzothiophen-3-yl)butanamide;hydrochloride
PubChem CID119604150
Molecular FormulaC18H25ClN2OS
Molecular Weight352.93 g/mol
Exact Mass352.14
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-(1-benzothiophen-3-yl)butanamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)CCCc1csc2ccccc12
InChIInChI=1S/C18H24N2OS.ClH/c19-11-13-5-3-8-16(13)20-18(21)10-4-6-14-12-22-17-9-2-1-7-15(14)17;/h1-2,7,9,12-13,16H,3-6,8,10-11,19H2,(H,20,21);1H
InChIKeyABCIHMJALHXHHI-UHFFFAOYSA-N
XLogP3.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.93
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-4-(1-benzothiophen-3-yl)butanamide;hydrochloride
CID 119629500
N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride
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N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide
CID 122080752
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromophenyl)acetamide;hydrochloride
CID 119603681
N-[2-(aminomethyl)cyclopentyl]-4-(2-bromophenoxy)butanamide;hydrochloride
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N-[2-(aminomethyl)cyclopentyl]-4-(2-fluorophenoxy)butanamide;hydrochloride
CID 119603939
N-[2-(aminomethyl)cyclohexyl]-4-(5-bromothiophen-2-yl)butanamide
CID 119612184
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119604388
4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119433107
N-[2-(aminomethyl)cyclopentyl]pentanamide
CID 62957090
1-[4-(1-benzothiophen-3-yl)butanoyl]piperidine-4-carboxamide
CID 119159265
N-[2-(aminomethyl)cyclopentyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 119600586

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(1-benzothiophen-3-yl)butanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(1-benzothiophen-3-yl)butanamide;hydrochloride (CID 119604150) is N-[2-(aminomethyl)cyclopentyl]-4-(1-benzothiophen-3-yl)butanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-(1-benzothiophen-3-yl)butanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-(1-benzothiophen-3-yl)butanamide;hydrochloride is Cl.NCC1CCCC1NC(=O)CCCc1csc2ccccc12.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-(1-benzothiophen-3-yl)butanamide;hydrochloride?
The InChIKey is ABCIHMJALHXHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS.ClH/c19-11-13-5-3-8-16(13)20-18(21)10-4-6-14-12-22-17-9-2-1-7-15(14)17;/h1-2,7,9,12-13,16H,3-6,8,10-11,19H2,(H,20,21);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-(1-benzothiophen-3-yl)butanamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-4-(1-benzothiophen-3-yl)butanamide;hydrochloride has a molecular weight of 352.93 g/mol, XLogP of 3.89, 6 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-(1-benzothiophen-3-yl)butanamide;hydrochloride is sourced from PubChem (CID 119604150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).