N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide

C11H14Cl2N2OS — CID 103806869

IUPACN-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
SMILESNCC1(NC(=O)c2cc(Cl)sc2Cl)CCCC1
InChIInChI=1S/C11H14Cl2N2OS/c12-8-5-7(9(13)17-8)10(16)15-11(6-14)3-1-2-4-11/h5H,1-4,6,14H2,(H,15,16)
InChIKeyLESUUEZMVQNOQE-UHFFFAOYSA-N
MW293.22 g/mol
LogP3.06
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide

N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide (PubChem CID 103806869) has the molecular formula C11H14Cl2N2OS and a molecular weight of 293.22 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
PubChem CID103806869
Molecular FormulaC11H14Cl2N2OS
Molecular Weight293.22 g/mol
Exact Mass292.02
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
SMILESNCC1(NC(=O)c2cc(Cl)sc2Cl)CCCC1
InChIInChI=1S/C11H14Cl2N2OS/c12-8-5-7(9(13)17-8)10(16)15-11(6-14)3-1-2-4-11/h5H,1-4,6,14H2,(H,15,16)
InChIKeyLESUUEZMVQNOQE-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 103790771
N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82883175
N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride
CID 119567613
N-[1-(aminomethyl)cyclopentyl]-2,4-dichloro-5-methylsulfanylbenzamide
CID 119566240
N-[1-(aminomethyl)cyclopentyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 63888390
1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113263350
N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide
CID 107726341
(2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanone
CID 106826585
2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide
CID 103767627
N-[1-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzamide
CID 79217970
N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide
CID 63755319
N-[1-(aminomethyl)cyclopentyl]naphthalene-1-carboxamide
CID 63753414

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide (CID 103806869) is N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide is NCC1(NC(=O)c2cc(Cl)sc2Cl)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is LESUUEZMVQNOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2OS/c12-8-5-7(9(13)17-8)10(16)15-11(6-14)3-1-2-4-11/h5H,1-4,6,14H2,(H,15,16).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 293.22 g/mol, XLogP of 3.06, 3 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-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 103806869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).