[1-(4-chloroisoquinolin-5-yl)sulfonylpiperidin-2-yl]methanamine

C15H18ClN3O2S — CID 67243949

IUPAC[1-(4-chloroisoquinolin-5-yl)sulfonylpiperidin-2-yl]methanamine
SMILESNCC1CCCCN1S(=O)(=O)c1cccc2cncc(Cl)c12
InChIInChI=1S/C15H18ClN3O2S/c16-13-10-18-9-11-4-3-6-14(15(11)13)22(20,21)19-7-2-1-5-12(19)8-17/h3-4,6,9-10,12H,1-2,5,7-8,17H2
InChIKeyAZMHCZVTUQGNCK-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.39
Rot. Bonds3

About [1-(4-chloroisoquinolin-5-yl)sulfonylpiperidin-2-yl]methanamine

[1-(4-chloroisoquinolin-5-yl)sulfonylpiperidin-2-yl]methanamine (PubChem CID 67243949) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is [1-(4-chloroisoquinolin-5-yl)sulfonylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(4-chloroisoquinolin-5-yl)sulfonylpiperidin-2-yl]methanamine
PubChem CID67243949
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name[1-(4-chloroisoquinolin-5-yl)sulfonylpiperidin-2-yl]methanamine
SMILESNCC1CCCCN1S(=O)(=O)c1cccc2cncc(Cl)c12
InChIInChI=1S/C15H18ClN3O2S/c16-13-10-18-9-11-4-3-6-14(15(11)13)22(20,21)19-7-2-1-5-12(19)8-17/h3-4,6,9-10,12H,1-2,5,7-8,17H2
InChIKeyAZMHCZVTUQGNCK-UHFFFAOYSA-N
XLogP2.39
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-amino-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-3-methylsulfanylpropan-1-one
CID 152580674
tert-butyl (3S)-4-(4-chloroisoquinolin-5-yl)sulfonyl-3-methyl-1,4-diazocane-1-carboxylate
CID 59684351
[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 120708048
methyl 2-[2-(aminomethyl)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119969576
(3S)-1-(4-chloroisoquinolin-5-yl)sulfonyl-N-methylpyrrolidin-3-amine;dihydrochloride
CID 67524094
5-[2-(bromomethyl)piperidin-1-yl]sulfonylisoquinoline
CID 80668661
bis((3S)-1-(4-chloroisoquinolin-5-yl)sulfonyl-N-methylpyrrolidin-3-amine);hydrochloride
CID 172708331
[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969239
1-[(2S)-2-amino-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-[2-(2-methoxyethoxy)ethoxy]ethanone
CID 152631878
[1-(2-methyl-3-nitrophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969391
[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]methanamine
CID 116640169
[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969346

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloroisoquinolin-5-yl)sulfonylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(4-chloroisoquinolin-5-yl)sulfonylpiperidin-2-yl]methanamine (CID 67243949) is [1-(4-chloroisoquinolin-5-yl)sulfonylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(4-chloroisoquinolin-5-yl)sulfonylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(4-chloroisoquinolin-5-yl)sulfonylpiperidin-2-yl]methanamine is NCC1CCCCN1S(=O)(=O)c1cccc2cncc(Cl)c12.
What is the InChIKey of [1-(4-chloroisoquinolin-5-yl)sulfonylpiperidin-2-yl]methanamine?
The InChIKey is AZMHCZVTUQGNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c16-13-10-18-9-11-4-3-6-14(15(11)13)22(20,21)19-7-2-1-5-12(19)8-17/h3-4,6,9-10,12H,1-2,5,7-8,17H2.
What are the key properties of [1-(4-chloroisoquinolin-5-yl)sulfonylpiperidin-2-yl]methanamine?
[1-(4-chloroisoquinolin-5-yl)sulfonylpiperidin-2-yl]methanamine has a molecular weight of 339.85 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloroisoquinolin-5-yl)sulfonylpiperidin-2-yl]methanamine is sourced from PubChem (CID 67243949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).