N-(2-aminoethyl)isoquinoline-5-sulfonamide;hydrochloride

C11H14ClN3O2S — CID 3088099

IUPACN-(2-aminoethyl)isoquinoline-5-sulfonamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C11H13N3O2S.ClH/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11;/h1-4,6,8,14H,5,7,12H2;1H
InChIKeyZAMCOVXWUOADQX-UHFFFAOYSA-N
MW287.77 g/mol
LogP0.89
Rot. Bonds4

About N-(2-aminoethyl)isoquinoline-5-sulfonamide;hydrochloride

N-(2-aminoethyl)isoquinoline-5-sulfonamide;hydrochloride (PubChem CID 3088099) has the molecular formula C11H14ClN3O2S and a molecular weight of 287.77 g/mol. Its IUPAC name is N-(2-aminoethyl)isoquinoline-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)isoquinoline-5-sulfonamide;hydrochloride
PubChem CID3088099
Molecular FormulaC11H14ClN3O2S
Molecular Weight287.77 g/mol
Exact Mass287.05
IUPAC NameN-(2-aminoethyl)isoquinoline-5-sulfonamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C11H13N3O2S.ClH/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11;/h1-4,6,8,14H,5,7,12H2;1H
InChIKeyZAMCOVXWUOADQX-UHFFFAOYSA-N
XLogP0.89
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)isoquinoline-5-sulfonamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)isoquinoline-5-sulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)isoquinoline-5-sulfonamide;hydrochloride (CID 3088099) is N-(2-aminoethyl)isoquinoline-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)isoquinoline-5-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)isoquinoline-5-sulfonamide;hydrochloride is Cl.NCCNS(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of N-(2-aminoethyl)isoquinoline-5-sulfonamide;hydrochloride?
The InChIKey is ZAMCOVXWUOADQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S.ClH/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11;/h1-4,6,8,14H,5,7,12H2;1H.
What are the key properties of N-(2-aminoethyl)isoquinoline-5-sulfonamide;hydrochloride?
N-(2-aminoethyl)isoquinoline-5-sulfonamide;hydrochloride has a molecular weight of 287.77 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)isoquinoline-5-sulfonamide;hydrochloride is sourced from PubChem (CID 3088099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).