4-isoquinolin-1-ylthiomorpholine

C13H14N2S — CID 171328602

IUPAC4-isoquinolin-1-ylthiomorpholine
SMILESc1ccc2c(N3CCSCC3)nccc2c1
InChIInChI=1S/C13H14N2S/c1-2-4-12-11(3-1)5-6-14-13(12)15-7-9-16-10-8-15/h1-6H,7-10H2
InChIKeyJGUTVHUEBNPSKZ-UHFFFAOYSA-N
MW230.34 g/mol
LogP2.79
Rot. Bonds1

About 4-isoquinolin-1-ylthiomorpholine

4-isoquinolin-1-ylthiomorpholine (PubChem CID 171328602) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 4-isoquinolin-1-ylthiomorpholine.

Molecular Properties

Compound Name4-isoquinolin-1-ylthiomorpholine
PubChem CID171328602
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name4-isoquinolin-1-ylthiomorpholine
SMILESc1ccc2c(N3CCSCC3)nccc2c1
InChIInChI=1S/C13H14N2S/c1-2-4-12-11(3-1)5-6-14-13(12)15-7-9-16-10-8-15/h1-6H,7-10H2
InChIKeyJGUTVHUEBNPSKZ-UHFFFAOYSA-N
XLogP2.79
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperazin-1-yl)isoquinoline
CID 4687476
(3-fluoro-2-thiomorpholin-4-yl-4-pyridinyl)methanol
CID 105382896
3-isoquinolin-1-yl-3-azabicyclo[3.1.0]hexan-6-amine
CID 69122033
(1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine
CID 115492061
1-[(3S)-3-methylpiperazin-1-yl]isoquinoline
CID 104977385
2-(1-isoquinolin-1-ylpiperidin-4-yl)oxyethanol
CID 82691067
1-amino-3-(4-isoquinolin-1-ylpiperazin-1-yl)propan-2-ol
CID 121415522
4-[3-(chloromethyl)-2-pyridinyl]thiomorpholine
CID 61254912
[3-fluoro-2-(1,4-thiazepan-4-yl)-4-pyridinyl]methanol
CID 105382959
4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine
CID 165433962
1-[(6S)-6-hydroxy-4-isoquinolin-1-yl-1,4-diazepan-1-yl]ethanone
CID 97133893
4-quinazolin-4-ylthiomorpholine;urea
CID 171802297

Frequently Asked Questions

What is the IUPAC name of 4-isoquinolin-1-ylthiomorpholine?
The IUPAC name of 4-isoquinolin-1-ylthiomorpholine (CID 171328602) is 4-isoquinolin-1-ylthiomorpholine.
What is the SMILES notation for 4-isoquinolin-1-ylthiomorpholine?
The canonical SMILES for 4-isoquinolin-1-ylthiomorpholine is c1ccc2c(N3CCSCC3)nccc2c1.
What is the InChIKey of 4-isoquinolin-1-ylthiomorpholine?
The InChIKey is JGUTVHUEBNPSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-2-4-12-11(3-1)5-6-14-13(12)15-7-9-16-10-8-15/h1-6H,7-10H2.
What are the key properties of 4-isoquinolin-1-ylthiomorpholine?
4-isoquinolin-1-ylthiomorpholine has a molecular weight of 230.34 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isoquinolin-1-ylthiomorpholine is sourced from PubChem (CID 171328602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).