6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine

C15H19N3S — CID 24737668

IUPAC6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine
SMILESNc1nccc2cc(SC3CCC(N)CC3)ccc12
InChIInChI=1S/C15H19N3S/c16-11-1-3-12(4-2-11)19-13-5-6-14-10(9-13)7-8-18-15(14)17/h5-9,11-12H,1-4,16H2,(H2,17,18)
InChIKeyQFWUBFCBZKNUDS-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.18
Rot. Bonds2

About 6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine

6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine (PubChem CID 24737668) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine.

Molecular Properties

Compound Name6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine
PubChem CID24737668
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine
SMILESNc1nccc2cc(SC3CCC(N)CC3)ccc12
InChIInChI=1S/C15H19N3S/c16-11-1-3-12(4-2-11)19-13-5-6-14-10(9-13)7-8-18-15(14)17/h5-9,11-12H,1-4,16H2,(H2,17,18)
InChIKeyQFWUBFCBZKNUDS-UHFFFAOYSA-N
XLogP3.18
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine?
The IUPAC name of 6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine (CID 24737668) is 6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine.
What is the SMILES notation for 6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine?
The canonical SMILES for 6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine is Nc1nccc2cc(SC3CCC(N)CC3)ccc12.
What is the InChIKey of 6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine?
The InChIKey is QFWUBFCBZKNUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c16-11-1-3-12(4-2-11)19-13-5-6-14-10(9-13)7-8-18-15(14)17/h5-9,11-12H,1-4,16H2,(H2,17,18).
What are the key properties of 6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine?
6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine has a molecular weight of 273.40 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminocyclohexyl)sulfanylisoquinolin-1-amine is sourced from PubChem (CID 24737668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).