N-[2-(aminomethyl)cyclopentyl]-5-iodothiophene-3-carboxamide;hydrochloride

C11H16ClIN2OS — CID 119601552

IUPACN-[2-(aminomethyl)cyclopentyl]-5-iodothiophene-3-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1csc(I)c1
InChIInChI=1S/C11H15IN2OS.ClH/c12-10-4-8(6-16-10)11(15)14-9-3-1-2-7(9)5-13;/h4,6-7,9H,1-3,5,13H2,(H,14,15);1H
InChIKeyKDSOORFFAYSVLG-UHFFFAOYSA-N
MW386.69 g/mol
LogP2.63
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-5-iodothiophene-3-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-5-iodothiophene-3-carboxamide;hydrochloride (PubChem CID 119601552) has the molecular formula C11H16ClIN2OS and a molecular weight of 386.69 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-5-iodothiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-5-iodothiophene-3-carboxamide;hydrochloride
PubChem CID119601552
Molecular FormulaC11H16ClIN2OS
Molecular Weight386.69 g/mol
Exact Mass385.97
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-5-iodothiophene-3-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1csc(I)c1
InChIInChI=1S/C11H15IN2OS.ClH/c12-10-4-8(6-16-10)11(15)14-9-3-1-2-7(9)5-13;/h4,6-7,9H,1-3,5,13H2,(H,14,15);1H
InChIKeyKDSOORFFAYSVLG-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.69
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide
CID 79692726
N-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide
CID 104956640
4-acetyl-N-[2-(aminomethyl)cyclopentyl]thiophene-2-carboxamide;hydrochloride
CID 119600925
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-(2-chlorocyclohexyl)-5-iodothiophene-3-carboxamide
CID 114301116
N-[2-(aminomethyl)cyclopentyl]-4-bromothiophene-2-carboxamide;hydrochloride
CID 119600817
N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide
CID 119601722
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119612060
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
CID 119612395
3-[(5-iodothiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 79685648
N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119603184
N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride
CID 119603744

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-iodothiophene-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-iodothiophene-3-carboxamide;hydrochloride (CID 119601552) is N-[2-(aminomethyl)cyclopentyl]-5-iodothiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-5-iodothiophene-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-5-iodothiophene-3-carboxamide;hydrochloride is Cl.NCC1CCCC1NC(=O)c1csc(I)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-5-iodothiophene-3-carboxamide;hydrochloride?
The InChIKey is KDSOORFFAYSVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2OS.ClH/c12-10-4-8(6-16-10)11(15)14-9-3-1-2-7(9)5-13;/h4,6-7,9H,1-3,5,13H2,(H,14,15);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-5-iodothiophene-3-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-5-iodothiophene-3-carboxamide;hydrochloride has a molecular weight of 386.69 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-5-iodothiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119601552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).