N-[2-(aminomethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide;hydrochloride

C17H21ClN2OS — CID 119603142

IUPACN-[2-(aminomethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C17H20N2OS.ClH/c18-11-13-7-4-8-15(13)19-17(20)16-14(9-10-21-16)12-5-2-1-3-6-12;/h1-3,5-6,9-10,13,15H,4,7-8,11,18H2,(H,19,20);1H
InChIKeyPTHMRVQANTZWJP-UHFFFAOYSA-N
MW336.89 g/mol
LogP3.69
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide;hydrochloride (PubChem CID 119603142) has the molecular formula C17H21ClN2OS and a molecular weight of 336.89 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide;hydrochloride
PubChem CID119603142
Molecular FormulaC17H21ClN2OS
Molecular Weight336.89 g/mol
Exact Mass336.11
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C17H20N2OS.ClH/c18-11-13-7-4-8-15(13)19-17(20)16-14(9-10-21-16)12-5-2-1-3-6-12;/h1-3,5-6,9-10,13,15H,4,7-8,11,18H2,(H,19,20);1H
InChIKeyPTHMRVQANTZWJP-UHFFFAOYSA-N
XLogP3.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.89
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119604930
N-[2-(aminomethyl)cyclohexyl]-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119609820
N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride
CID 119600470
3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 106364449
N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride
CID 119603744
N-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide
CID 60511869
N-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-phenylthiophene-2-carboxamide
CID 99778789
N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide
CID 62519290
N-[2-(aminomethyl)cyclopentyl]-5-iodothiophene-3-carboxamide;hydrochloride
CID 119601552
N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide
CID 119601875
N-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
CID 119601120

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide;hydrochloride (CID 119603142) is N-[2-(aminomethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide;hydrochloride is Cl.NCC1CCCC1NC(=O)c1sccc1-c1ccccc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide;hydrochloride?
The InChIKey is PTHMRVQANTZWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS.ClH/c18-11-13-7-4-8-15(13)19-17(20)16-14(9-10-21-16)12-5-2-1-3-6-12;/h1-3,5-6,9-10,13,15H,4,7-8,11,18H2,(H,19,20);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide;hydrochloride has a molecular weight of 336.89 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119603142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).