1-isoquinolin-6-ylsulfonylpyrrolidin-3-amine;dihydrochloride

C13H17Cl2N3O2S — CID 66727171

IUPAC1-isoquinolin-6-ylsulfonylpyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(S(=O)(=O)c2ccc3cnccc3c2)C1
InChIInChI=1S/C13H15N3O2S.2ClH/c14-12-4-6-16(9-12)19(17,18)13-2-1-11-8-15-5-3-10(11)7-13;;/h1-3,5,7-8,12H,4,6,9,14H2;2*1H
InChIKeyQNBGSARJPUJLSJ-UHFFFAOYSA-N
MW350.27 g/mol
LogP1.80
Rot. Bonds2

About 1-isoquinolin-6-ylsulfonylpyrrolidin-3-amine;dihydrochloride

1-isoquinolin-6-ylsulfonylpyrrolidin-3-amine;dihydrochloride (PubChem CID 66727171) has the molecular formula C13H17Cl2N3O2S and a molecular weight of 350.27 g/mol. Its IUPAC name is 1-isoquinolin-6-ylsulfonylpyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-isoquinolin-6-ylsulfonylpyrrolidin-3-amine;dihydrochloride
PubChem CID66727171
Molecular FormulaC13H17Cl2N3O2S
Molecular Weight350.27 g/mol
Exact Mass349.04
IUPAC Name1-isoquinolin-6-ylsulfonylpyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(S(=O)(=O)c2ccc3cnccc3c2)C1
InChIInChI=1S/C13H15N3O2S.2ClH/c14-12-4-6-16(9-12)19(17,18)13-2-1-11-8-15-5-3-10(11)7-13;;/h1-3,5,7-8,12H,4,6,9,14H2;2*1H
InChIKeyQNBGSARJPUJLSJ-UHFFFAOYSA-N
XLogP1.80
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119993487
(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119962668
1-isoquinolin-6-ylsulfonyl-4,4-dimethylpyrrolidin-3-amine
CID 155960073
6-(3,6-diazabicyclo[3.1.1]heptan-3-ylsulfonyl)isoquinoline
CID 166304073
1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971621
6-[(3S)-3-aminopyrrolidin-1-yl]sulfonylchromen-2-one;hydrochloride
CID 119993407
(3S)-1-(3,4-diethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 86814826
(3R)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962436
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
1-pyridin-3-ylsulfonylpiperidin-3-amine;dihydrochloride
CID 165437566
1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708379
1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971605

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-6-ylsulfonylpyrrolidin-3-amine;dihydrochloride?
The IUPAC name of 1-isoquinolin-6-ylsulfonylpyrrolidin-3-amine;dihydrochloride (CID 66727171) is 1-isoquinolin-6-ylsulfonylpyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-isoquinolin-6-ylsulfonylpyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for 1-isoquinolin-6-ylsulfonylpyrrolidin-3-amine;dihydrochloride is Cl.Cl.NC1CCN(S(=O)(=O)c2ccc3cnccc3c2)C1.
What is the InChIKey of 1-isoquinolin-6-ylsulfonylpyrrolidin-3-amine;dihydrochloride?
The InChIKey is QNBGSARJPUJLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S.2ClH/c14-12-4-6-16(9-12)19(17,18)13-2-1-11-8-15-5-3-10(11)7-13;;/h1-3,5,7-8,12H,4,6,9,14H2;2*1H.
What are the key properties of 1-isoquinolin-6-ylsulfonylpyrrolidin-3-amine;dihydrochloride?
1-isoquinolin-6-ylsulfonylpyrrolidin-3-amine;dihydrochloride has a molecular weight of 350.27 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-6-ylsulfonylpyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 66727171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).