1-[2-(aminomethyl)piperidin-1-yl]-2-cyclopentylsulfonylethanone;hydrochloride

C13H25ClN2O3S — CID 119466764

IUPAC1-[2-(aminomethyl)piperidin-1-yl]-2-cyclopentylsulfonylethanone;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C13H24N2O3S.ClH/c14-9-11-5-3-4-8-15(11)13(16)10-19(17,18)12-6-1-2-7-12;/h11-12H,1-10,14H2;1H
InChIKeyVSSCEJDRUQWXJI-UHFFFAOYSA-N
MW324.87 g/mol
LogP1.11
Rot. Bonds4

About 1-[2-(aminomethyl)piperidin-1-yl]-2-cyclopentylsulfonylethanone;hydrochloride

1-[2-(aminomethyl)piperidin-1-yl]-2-cyclopentylsulfonylethanone;hydrochloride (PubChem CID 119466764) has the molecular formula C13H25ClN2O3S and a molecular weight of 324.87 g/mol. Its IUPAC name is 1-[2-(aminomethyl)piperidin-1-yl]-2-cyclopentylsulfonylethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(aminomethyl)piperidin-1-yl]-2-cyclopentylsulfonylethanone;hydrochloride
PubChem CID119466764
Molecular FormulaC13H25ClN2O3S
Molecular Weight324.87 g/mol
Exact Mass324.13
IUPAC Name1-[2-(aminomethyl)piperidin-1-yl]-2-cyclopentylsulfonylethanone;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C13H24N2O3S.ClH/c14-9-11-5-3-4-8-15(11)13(16)10-19(17,18)12-6-1-2-7-12;/h11-12H,1-10,14H2;1H
InChIKeyVSSCEJDRUQWXJI-UHFFFAOYSA-N
XLogP1.11
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.87
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentylsulfonyl-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 56802310
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 84706589
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
2-cyclopentylsulfonyl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95605681
2-cyclopentylsulfonyl-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 56802359
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone
CID 113265851
1-[2-(aminomethyl)piperidin-1-yl]-3-ethylpentan-1-one
CID 119467538
1-[2-(aminomethyl)piperidin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride
CID 119468814
1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride
CID 119466546
2-cyclopentylsulfonyl-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95306760
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbutan-1-one
CID 119630905

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2-cyclopentylsulfonylethanone;hydrochloride?
The IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2-cyclopentylsulfonylethanone;hydrochloride (CID 119466764) is 1-[2-(aminomethyl)piperidin-1-yl]-2-cyclopentylsulfonylethanone;hydrochloride.
What is the SMILES notation for 1-[2-(aminomethyl)piperidin-1-yl]-2-cyclopentylsulfonylethanone;hydrochloride?
The canonical SMILES for 1-[2-(aminomethyl)piperidin-1-yl]-2-cyclopentylsulfonylethanone;hydrochloride is Cl.NCC1CCCCN1C(=O)CS(=O)(=O)C1CCCC1.
What is the InChIKey of 1-[2-(aminomethyl)piperidin-1-yl]-2-cyclopentylsulfonylethanone;hydrochloride?
The InChIKey is VSSCEJDRUQWXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S.ClH/c14-9-11-5-3-4-8-15(11)13(16)10-19(17,18)12-6-1-2-7-12;/h11-12H,1-10,14H2;1H.
What are the key properties of 1-[2-(aminomethyl)piperidin-1-yl]-2-cyclopentylsulfonylethanone;hydrochloride?
1-[2-(aminomethyl)piperidin-1-yl]-2-cyclopentylsulfonylethanone;hydrochloride has a molecular weight of 324.87 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)piperidin-1-yl]-2-cyclopentylsulfonylethanone;hydrochloride is sourced from PubChem (CID 119466764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).