4-acetyl-N-[2-(aminomethyl)cyclopentyl]thiophene-2-carboxamide;hydrochloride

C13H19ClN2O2S — CID 119600925

IUPAC4-acetyl-N-[2-(aminomethyl)cyclopentyl]thiophene-2-carboxamide;hydrochloride
SMILESCC(=O)c1csc(C(=O)NC2CCCC2CN)c1.Cl
InChIInChI=1S/C13H18N2O2S.ClH/c1-8(16)10-5-12(18-7-10)13(17)15-11-4-2-3-9(11)6-14;/h5,7,9,11H,2-4,6,14H2,1H3,(H,15,17);1H
InChIKeySRUGOSXAHAGNTQ-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.23
Rot. Bonds4

About 4-acetyl-N-[2-(aminomethyl)cyclopentyl]thiophene-2-carboxamide;hydrochloride

4-acetyl-N-[2-(aminomethyl)cyclopentyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119600925) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 4-acetyl-N-[2-(aminomethyl)cyclopentyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-acetyl-N-[2-(aminomethyl)cyclopentyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119600925
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name4-acetyl-N-[2-(aminomethyl)cyclopentyl]thiophene-2-carboxamide;hydrochloride
SMILESCC(=O)c1csc(C(=O)NC2CCCC2CN)c1.Cl
InChIInChI=1S/C13H18N2O2S.ClH/c1-8(16)10-5-12(18-7-10)13(17)15-11-4-2-3-9(11)6-14;/h5,7,9,11H,2-4,6,14H2,1H3,(H,15,17);1H
InChIKeySRUGOSXAHAGNTQ-UHFFFAOYSA-N
XLogP2.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119600817
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CID 119601552
N-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide
CID 79692726
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(hydroxymethyl)cyclohexyl]-4-methoxythiophene-2-carboxamide
CID 113340475
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide
CID 113265788
4-acetyl-N-(3-aminopropyl)thiophene-2-carboxamide
CID 119405170
4-acetyl-N-(1-amino-2-methylpropan-2-yl)thiophene-2-carboxamide
CID 119521663
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
CID 119612395
N-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 119609795

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(aminomethyl)cyclopentyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 4-acetyl-N-[2-(aminomethyl)cyclopentyl]thiophene-2-carboxamide;hydrochloride (CID 119600925) is 4-acetyl-N-[2-(aminomethyl)cyclopentyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-acetyl-N-[2-(aminomethyl)cyclopentyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 4-acetyl-N-[2-(aminomethyl)cyclopentyl]thiophene-2-carboxamide;hydrochloride is CC(=O)c1csc(C(=O)NC2CCCC2CN)c1.Cl.
What is the InChIKey of 4-acetyl-N-[2-(aminomethyl)cyclopentyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is SRUGOSXAHAGNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S.ClH/c1-8(16)10-5-12(18-7-10)13(17)15-11-4-2-3-9(11)6-14;/h5,7,9,11H,2-4,6,14H2,1H3,(H,15,17);1H.
What are the key properties of 4-acetyl-N-[2-(aminomethyl)cyclopentyl]thiophene-2-carboxamide;hydrochloride?
4-acetyl-N-[2-(aminomethyl)cyclopentyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 302.83 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(aminomethyl)cyclopentyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119600925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).