6-[(3S)-1-methylsulfonylpiperidin-3-yl]oxyisoquinolin-1-amine

C15H19N3O3S — CID 53319060

IUPAC6-[(3S)-1-methylsulfonylpiperidin-3-yl]oxyisoquinolin-1-amine
SMILESCS(=O)(=O)N1CCC[C@H](Oc2ccc3c(N)nccc3c2)C1
InChIInChI=1S/C15H19N3O3S/c1-22(19,20)18-8-2-3-13(10-18)21-12-4-5-14-11(9-12)6-7-17-15(14)16/h4-7,9,13H,2-3,8,10H2,1H3,(H2,16,17)/t13-/m0/s1
InChIKeyQWXDZPSFGKFBSR-ZDUSSCGKSA-N
MW321.40 g/mol
LogP1.62
Rot. Bonds3

About 6-[(3S)-1-methylsulfonylpiperidin-3-yl]oxyisoquinolin-1-amine

6-[(3S)-1-methylsulfonylpiperidin-3-yl]oxyisoquinolin-1-amine (PubChem CID 53319060) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 6-[(3S)-1-methylsulfonylpiperidin-3-yl]oxyisoquinolin-1-amine.

Molecular Properties

Compound Name6-[(3S)-1-methylsulfonylpiperidin-3-yl]oxyisoquinolin-1-amine
PubChem CID53319060
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name6-[(3S)-1-methylsulfonylpiperidin-3-yl]oxyisoquinolin-1-amine
SMILESCS(=O)(=O)N1CCC[C@H](Oc2ccc3c(N)nccc3c2)C1
InChIInChI=1S/C15H19N3O3S/c1-22(19,20)18-8-2-3-13(10-18)21-12-4-5-14-11(9-12)6-7-17-15(14)16/h4-7,9,13H,2-3,8,10H2,1H3,(H2,16,17)/t13-/m0/s1
InChIKeyQWXDZPSFGKFBSR-ZDUSSCGKSA-N
XLogP1.62
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(3S)-1-methylsulfonylpiperidin-3-yl]oxyisoquinolin-1-amine 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 6-[(3S)-1-methylsulfonylpiperidin-3-yl]oxyisoquinolin-1-amine?
The IUPAC name of 6-[(3S)-1-methylsulfonylpiperidin-3-yl]oxyisoquinolin-1-amine (CID 53319060) is 6-[(3S)-1-methylsulfonylpiperidin-3-yl]oxyisoquinolin-1-amine.
What is the SMILES notation for 6-[(3S)-1-methylsulfonylpiperidin-3-yl]oxyisoquinolin-1-amine?
The canonical SMILES for 6-[(3S)-1-methylsulfonylpiperidin-3-yl]oxyisoquinolin-1-amine is CS(=O)(=O)N1CCC[C@H](Oc2ccc3c(N)nccc3c2)C1.
What is the InChIKey of 6-[(3S)-1-methylsulfonylpiperidin-3-yl]oxyisoquinolin-1-amine?
The InChIKey is QWXDZPSFGKFBSR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-22(19,20)18-8-2-3-13(10-18)21-12-4-5-14-11(9-12)6-7-17-15(14)16/h4-7,9,13H,2-3,8,10H2,1H3,(H2,16,17)/t13-/m0/s1.
What are the key properties of 6-[(3S)-1-methylsulfonylpiperidin-3-yl]oxyisoquinolin-1-amine?
6-[(3S)-1-methylsulfonylpiperidin-3-yl]oxyisoquinolin-1-amine has a molecular weight of 321.40 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1-methylsulfonylpiperidin-3-yl]oxyisoquinolin-1-amine is sourced from PubChem (CID 53319060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).