N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride

C17H26ClN3O3S — CID 119601838

IUPACN-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
SMILESCS(=O)(=O)N1CCCc2cc(C(=O)NC3CCCC3CN)ccc21.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-24(22,23)20-9-3-5-12-10-13(7-8-16(12)20)17(21)19-15-6-2-4-14(15)11-18;/h7-8,10,14-15H,2-6,9,11,18H2,1H3,(H,19,21);1H
InChIKeyYJAUBYADHDTETE-UHFFFAOYSA-N
MW387.93 g/mol
LogP1.68
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride (PubChem CID 119601838) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
PubChem CID119601838
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
SMILESCS(=O)(=O)N1CCCc2cc(C(=O)NC3CCCC3CN)ccc21.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-24(22,23)20-9-3-5-12-10-13(7-8-16(12)20)17(21)19-15-6-2-4-14(15)11-18;/h7-8,10,14-15H,2-6,9,11,18H2,1H3,(H,19,21);1H
InChIKeyYJAUBYADHDTETE-UHFFFAOYSA-N
XLogP1.68
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119601839
N-(2-aminoethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119382985
4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119228969
N-[1-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119565833
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119606454
N-[2-(aminomethyl)cyclopentyl]-4-methyl-3-methylsulfonylbenzamide;hydrochloride
CID 119602106
N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119598227
N-(3-amino-2-methylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119995968
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride
CID 119602335
N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62955860
N-(3-methylpiperidin-4-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 120554270
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 8819694

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride (CID 119601838) is N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride is CS(=O)(=O)N1CCCc2cc(C(=O)NC3CCCC3CN)ccc21.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride?
The InChIKey is YJAUBYADHDTETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S.ClH/c1-24(22,23)20-9-3-5-12-10-13(7-8-16(12)20)17(21)19-15-6-2-4-14(15)11-18;/h7-8,10,14-15H,2-6,9,11,18H2,1H3,(H,19,21);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride has a molecular weight of 387.93 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride is sourced from PubChem (CID 119601838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).