potassium;hydrogen carbonate;6-piperidin-3-ylsulfanylisoquinolin-1-amine

C15H18KN3O3S — CID 69442681

IUPACpotassium;hydrogen carbonate;6-piperidin-3-ylsulfanylisoquinolin-1-amine
SMILESNc1nccc2cc(SC3CCCNC3)ccc12.O=C([O-])O.[K+]
InChIInChI=1S/C14H17N3S.CH2O3.K/c15-14-13-4-3-11(8-10(13)5-7-17-14)18-12-2-1-6-16-9-12;2-1(3)4;/h3-5,7-8,12,16H,1-2,6,9H2,(H2,15,17);(H2,2,3,4);/q;;+1/p-1
InChIKeyJYKFAFZFDOGNDR-UHFFFAOYSA-M
MW359.49 g/mol
LogP-1.45
Rot. Bonds2

About potassium;hydrogen carbonate;6-piperidin-3-ylsulfanylisoquinolin-1-amine

potassium;hydrogen carbonate;6-piperidin-3-ylsulfanylisoquinolin-1-amine (PubChem CID 69442681) has the molecular formula C15H18KN3O3S and a molecular weight of 359.49 g/mol. Its IUPAC name is potassium;hydrogen carbonate;6-piperidin-3-ylsulfanylisoquinolin-1-amine.

Molecular Properties

Compound Namepotassium;hydrogen carbonate;6-piperidin-3-ylsulfanylisoquinolin-1-amine
PubChem CID69442681
Molecular FormulaC15H18KN3O3S
Molecular Weight359.49 g/mol
Exact Mass359.07
IUPAC Namepotassium;hydrogen carbonate;6-piperidin-3-ylsulfanylisoquinolin-1-amine
SMILESNc1nccc2cc(SC3CCCNC3)ccc12.O=C([O-])O.[K+]
InChIInChI=1S/C14H17N3S.CH2O3.K/c15-14-13-4-3-11(8-10(13)5-7-17-14)18-12-2-1-6-16-9-12;2-1(3)4;/h3-5,7-8,12,16H,1-2,6,9H2,(H2,15,17);(H2,2,3,4);/q;;+1/p-1
InChIKeyJYKFAFZFDOGNDR-UHFFFAOYSA-M
XLogP-1.45
TPSA111.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of potassium;hydrogen carbonate;6-piperidin-3-ylsulfanylisoquinolin-1-amine?
The IUPAC name of potassium;hydrogen carbonate;6-piperidin-3-ylsulfanylisoquinolin-1-amine (CID 69442681) is potassium;hydrogen carbonate;6-piperidin-3-ylsulfanylisoquinolin-1-amine.
What is the SMILES notation for potassium;hydrogen carbonate;6-piperidin-3-ylsulfanylisoquinolin-1-amine?
The canonical SMILES for potassium;hydrogen carbonate;6-piperidin-3-ylsulfanylisoquinolin-1-amine is Nc1nccc2cc(SC3CCCNC3)ccc12.O=C([O-])O.[K+].
What is the InChIKey of potassium;hydrogen carbonate;6-piperidin-3-ylsulfanylisoquinolin-1-amine?
The InChIKey is JYKFAFZFDOGNDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H17N3S.CH2O3.K/c15-14-13-4-3-11(8-10(13)5-7-17-14)18-12-2-1-6-16-9-12;2-1(3)4;/h3-5,7-8,12,16H,1-2,6,9H2,(H2,15,17);(H2,2,3,4);/q;;+1/p-1.
What are the key properties of potassium;hydrogen carbonate;6-piperidin-3-ylsulfanylisoquinolin-1-amine?
potassium;hydrogen carbonate;6-piperidin-3-ylsulfanylisoquinolin-1-amine has a molecular weight of 359.49 g/mol, XLogP of -1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydrogen carbonate;6-piperidin-3-ylsulfanylisoquinolin-1-amine is sourced from PubChem (CID 69442681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).