1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride

C16H22ClN3O2S — CID 119965289

IUPAC1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride
SMILESCC(N)C1CCCCN1S(=O)(=O)c1cccc2cnccc12.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-12(17)15-6-2-3-10-19(15)22(20,21)16-7-4-5-13-11-18-9-8-14(13)16;/h4-5,7-9,11-12,15H,2-3,6,10,17H2,1H3;1H
InChIKeyMKVUFXCADOSBNT-UHFFFAOYSA-N
MW355.89 g/mol
LogP2.55
Rot. Bonds3

About 1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride

1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride (PubChem CID 119965289) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is 1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride
PubChem CID119965289
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC Name1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride
SMILESCC(N)C1CCCCN1S(=O)(=O)c1cccc2cnccc12.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-12(17)15-6-2-3-10-19(15)22(20,21)16-7-4-5-13-11-18-9-8-14(13)16;/h4-5,7-9,11-12,15H,2-3,6,10,17H2,1H3;1H
InChIKeyMKVUFXCADOSBNT-UHFFFAOYSA-N
XLogP2.55
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[(2R)-1-quinolin-5-ylsulfonylpiperidin-2-yl]ethanamine
CID 125118643
1-isoquinolin-5-ylsulfonylpiperidine-2-carbaldehyde
CID 63844332
5-[2-(bromomethyl)piperidin-1-yl]sulfonylisoquinoline
CID 80668661
(1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124691045
1-[1-(2,3-difluorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965238
1-[1-(3-bromo-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965556
1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 119965286
1-[1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 120999580
[2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]-phenylmethanone;hydrochloride
CID 120999660
1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971621
1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779179
1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 119965400

Frequently Asked Questions

What is the IUPAC name of 1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride (CID 119965289) is 1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride is CC(N)C1CCCCN1S(=O)(=O)c1cccc2cnccc12.Cl.
What is the InChIKey of 1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride?
The InChIKey is MKVUFXCADOSBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S.ClH/c1-12(17)15-6-2-3-10-19(15)22(20,21)16-7-4-5-13-11-18-9-8-14(13)16;/h4-5,7-9,11-12,15H,2-3,6,10,17H2,1H3;1H.
What are the key properties of 1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride?
1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride has a molecular weight of 355.89 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 119965289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).