1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride

C13H16ClN3O2S — CID 119971621

IUPAC1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2cccc3cnccc23)C1
InChIInChI=1S/C13H15N3O2S.ClH/c14-11-5-7-16(9-11)19(17,18)13-3-1-2-10-8-15-6-4-12(10)13;/h1-4,6,8,11H,5,7,9,14H2;1H
InChIKeyDXMXYSVJDWSLFW-UHFFFAOYSA-N
MW313.81 g/mol
LogP1.38
Rot. Bonds2

About 1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride

1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119971621) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is 1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119971621
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC Name1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2cccc3cnccc23)C1
InChIInChI=1S/C13H15N3O2S.ClH/c14-11-5-7-16(9-11)19(17,18)13-3-1-2-10-8-15-6-4-12(10)13;/h1-4,6,8,11H,5,7,9,14H2;1H
InChIKeyDXMXYSVJDWSLFW-UHFFFAOYSA-N
XLogP1.38
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride (CID 119971621) is 1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride is Cl.NC1CCN(S(=O)(=O)c2cccc3cnccc23)C1.
What is the InChIKey of 1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is DXMXYSVJDWSLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S.ClH/c14-11-5-7-16(9-11)19(17,18)13-3-1-2-10-8-15-6-4-12(10)13;/h1-4,6,8,11H,5,7,9,14H2;1H.
What are the key properties of 1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride?
1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 313.81 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119971621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).