potassium;6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine;hydrogen carbonate

C16H20KN3O3S — CID 69032901

IUPACpotassium;6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine;hydrogen carbonate
SMILESNc1nccc2cc(SC3CCC(N)CC3)ccc12.O=C([O-])O.[K+]
InChIInChI=1S/C15H19N3S.CH2O3.K/c16-11-1-3-12(4-2-11)19-13-5-6-14-10(9-13)7-8-18-15(14)17;2-1(3)4;/h5-9,11-12H,1-4,16H2,(H2,17,18);(H2,2,3,4);/q;;+1/p-1
InChIKeyCYDFJBWCSNPFLE-UHFFFAOYSA-M
MW373.52 g/mol
LogP-0.93
Rot. Bonds2

About potassium;6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine;hydrogen carbonate

potassium;6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine;hydrogen carbonate (PubChem CID 69032901) has the molecular formula C16H20KN3O3S and a molecular weight of 373.52 g/mol. Its IUPAC name is potassium;6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine;hydrogen carbonate.

Molecular Properties

Compound Namepotassium;6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine;hydrogen carbonate
PubChem CID69032901
Molecular FormulaC16H20KN3O3S
Molecular Weight373.52 g/mol
Exact Mass373.09
IUPAC Namepotassium;6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine;hydrogen carbonate
SMILESNc1nccc2cc(SC3CCC(N)CC3)ccc12.O=C([O-])O.[K+]
InChIInChI=1S/C15H19N3S.CH2O3.K/c16-11-1-3-12(4-2-11)19-13-5-6-14-10(9-13)7-8-18-15(14)17;2-1(3)4;/h5-9,11-12H,1-4,16H2,(H2,17,18);(H2,2,3,4);/q;;+1/p-1
InChIKeyCYDFJBWCSNPFLE-UHFFFAOYSA-M
XLogP-0.93
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of potassium;6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine;hydrogen carbonate?
The IUPAC name of potassium;6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine;hydrogen carbonate (CID 69032901) is potassium;6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine;hydrogen carbonate.
What is the SMILES notation for potassium;6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine;hydrogen carbonate?
The canonical SMILES for potassium;6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine;hydrogen carbonate is Nc1nccc2cc(SC3CCC(N)CC3)ccc12.O=C([O-])O.[K+].
What is the InChIKey of potassium;6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine;hydrogen carbonate?
The InChIKey is CYDFJBWCSNPFLE-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H19N3S.CH2O3.K/c16-11-1-3-12(4-2-11)19-13-5-6-14-10(9-13)7-8-18-15(14)17;2-1(3)4;/h5-9,11-12H,1-4,16H2,(H2,17,18);(H2,2,3,4);/q;;+1/p-1.
What are the key properties of potassium;6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine;hydrogen carbonate?
potassium;6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine;hydrogen carbonate has a molecular weight of 373.52 g/mol, XLogP of -0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine;hydrogen carbonate is sourced from PubChem (CID 69032901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).