1,2,3,4-Tetrahydro-Isoquinoline-7-Sulfonic Acid Amide

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.

Tetrahydroisoquinolines

Organic compounds

Organoheterocyclic compounds

Tetrahydroisoquinolines

Calculated Property

kind Value Source
logP 0.15 ALOGPS
logS -2 ALOGPS
Water Solubility 2.08e+00 g/l ALOGPS
logP 0.0042 ChemAxon
IUPAC Name 1,2,3,4-tetrahydroisoquinoline-7-sulfonamide ChemAxon
Traditional IUPAC Name 1,2,3,4-tetrahydroisoquinoline-7-sulfonamide ChemAxon
Molecular Weight 212.269 ChemAxon
Monoisotopic Weight 212.061948328 ChemAxon
SMILES NS(=O)(=O)C1=CC2=C(CCNC2)C=C1 ChemAxon
Molecular Formula C9H12N2O2S ChemAxon
InChI InChI=1S/C9H12N2O2S/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2,(H2,10,12,13) ChemAxon
InChIKey InChIKey=UGLLZXSYRBMNOS-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 72.19 ChemAxon
Refractivity 54.77 ChemAxon
Polarizability 21.46 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 10.37 ChemAxon
pKa (strongest basic) 8.62 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Phenylethanolamine N-methyltransferase : in Human