2-(5-aminoisoquinolin-8-yl)sulfanylethanol

C11H12N2OS — CID 103140967

IUPAC2-(5-aminoisoquinolin-8-yl)sulfanylethanol
SMILESNc1ccc(SCCO)c2cnccc12
InChIInChI=1S/C11H12N2OS/c12-10-1-2-11(15-6-5-14)9-7-13-4-3-8(9)10/h1-4,7,14H,5-6,12H2
InChIKeyFPARNZSADCFWPP-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.90
Rot. Bonds3

About 2-(5-aminoisoquinolin-8-yl)sulfanylethanol

2-(5-aminoisoquinolin-8-yl)sulfanylethanol (PubChem CID 103140967) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-(5-aminoisoquinolin-8-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(5-aminoisoquinolin-8-yl)sulfanylethanol
PubChem CID103140967
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-(5-aminoisoquinolin-8-yl)sulfanylethanol
SMILESNc1ccc(SCCO)c2cnccc12
InChIInChI=1S/C11H12N2OS/c12-10-1-2-11(15-6-5-14)9-7-13-4-3-8(9)10/h1-4,7,14H,5-6,12H2
InChIKeyFPARNZSADCFWPP-UHFFFAOYSA-N
XLogP1.90
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminoisoquinolin-8-yl)sulfanylethanol?
The IUPAC name of 2-(5-aminoisoquinolin-8-yl)sulfanylethanol (CID 103140967) is 2-(5-aminoisoquinolin-8-yl)sulfanylethanol.
What is the SMILES notation for 2-(5-aminoisoquinolin-8-yl)sulfanylethanol?
The canonical SMILES for 2-(5-aminoisoquinolin-8-yl)sulfanylethanol is Nc1ccc(SCCO)c2cnccc12.
What is the InChIKey of 2-(5-aminoisoquinolin-8-yl)sulfanylethanol?
The InChIKey is FPARNZSADCFWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c12-10-1-2-11(15-6-5-14)9-7-13-4-3-8(9)10/h1-4,7,14H,5-6,12H2.
What are the key properties of 2-(5-aminoisoquinolin-8-yl)sulfanylethanol?
2-(5-aminoisoquinolin-8-yl)sulfanylethanol has a molecular weight of 220.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminoisoquinolin-8-yl)sulfanylethanol is sourced from PubChem (CID 103140967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).