N-[2-(aminomethyl)cyclopentyl]-2-cyclopentylsulfonylacetamide;hydrochloride

C13H25ClN2O3S — CID 119601349

IUPACN-[2-(aminomethyl)cyclopentyl]-2-cyclopentylsulfonylacetamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C13H24N2O3S.ClH/c14-8-10-4-3-7-12(10)15-13(16)9-19(17,18)11-5-1-2-6-11;/h10-12H,1-9,14H2,(H,15,16);1H
InChIKeyALBSUNISJXOWLA-UHFFFAOYSA-N
MW324.87 g/mol
LogP1.01
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-2-cyclopentylsulfonylacetamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-cyclopentylsulfonylacetamide;hydrochloride (PubChem CID 119601349) has the molecular formula C13H25ClN2O3S and a molecular weight of 324.87 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-cyclopentylsulfonylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-cyclopentylsulfonylacetamide;hydrochloride
PubChem CID119601349
Molecular FormulaC13H25ClN2O3S
Molecular Weight324.87 g/mol
Exact Mass324.13
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-cyclopentylsulfonylacetamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C13H24N2O3S.ClH/c14-8-10-4-3-7-12(10)15-13(16)9-19(17,18)11-5-1-2-6-11;/h10-12H,1-9,14H2,(H,15,16);1H
InChIKeyALBSUNISJXOWLA-UHFFFAOYSA-N
XLogP1.01
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.87
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-cyclopentylsulfonylpropanamide
CID 119604432
N-[2-(aminomethyl)cyclopentyl]-2-pentylsulfonylacetamide;hydrochloride
CID 119601555
[(1S,2R)-2-(aminomethyl)cyclopentyl]urea
CID 94903973
N-[2-(aminomethyl)cyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride
CID 119611051
N-[2-(aminomethyl)cyclohexyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119612520
N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride
CID 119611809
[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566826
[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566827
N-[2-(aminomethyl)cyclopentyl]-4,4-dimethylpentanamide;hydrochloride
CID 119605302
2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride
CID 119610509
N-[2-(aminomethyl)cyclopentyl]-2-(oxolan-2-yl)acetamide;hydrochloride
CID 119260999
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride
CID 119612593

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-cyclopentylsulfonylacetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-cyclopentylsulfonylacetamide;hydrochloride (CID 119601349) is N-[2-(aminomethyl)cyclopentyl]-2-cyclopentylsulfonylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-cyclopentylsulfonylacetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-cyclopentylsulfonylacetamide;hydrochloride is Cl.NCC1CCCC1NC(=O)CS(=O)(=O)C1CCCC1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-cyclopentylsulfonylacetamide;hydrochloride?
The InChIKey is ALBSUNISJXOWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S.ClH/c14-8-10-4-3-7-12(10)15-13(16)9-19(17,18)11-5-1-2-6-11;/h10-12H,1-9,14H2,(H,15,16);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-cyclopentylsulfonylacetamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-cyclopentylsulfonylacetamide;hydrochloride has a molecular weight of 324.87 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-cyclopentylsulfonylacetamide;hydrochloride is sourced from PubChem (CID 119601349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).