isoquinolin-8-yl-(2-methylthiolan-2-yl)methanamine

C15H18N2S — CID 103137667

IUPACisoquinolin-8-yl-(2-methylthiolan-2-yl)methanamine
SMILESCC1(C(N)c2cccc3ccncc23)CCCS1
InChIInChI=1S/C15H18N2S/c1-15(7-3-9-18-15)14(16)12-5-2-4-11-6-8-17-10-13(11)12/h2,4-6,8,10,14H,3,7,9,16H2,1H3
InChIKeyHAUYKWHVSYOQHO-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.52
Rot. Bonds2

About isoquinolin-8-yl-(2-methylthiolan-2-yl)methanamine

isoquinolin-8-yl-(2-methylthiolan-2-yl)methanamine (PubChem CID 103137667) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is isoquinolin-8-yl-(2-methylthiolan-2-yl)methanamine.

Molecular Properties

Compound Nameisoquinolin-8-yl-(2-methylthiolan-2-yl)methanamine
PubChem CID103137667
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Nameisoquinolin-8-yl-(2-methylthiolan-2-yl)methanamine
SMILESCC1(C(N)c2cccc3ccncc23)CCCS1
InChIInChI=1S/C15H18N2S/c1-15(7-3-9-18-15)14(16)12-5-2-4-11-6-8-17-10-13(11)12/h2,4-6,8,10,14H,3,7,9,16H2,1H3
InChIKeyHAUYKWHVSYOQHO-UHFFFAOYSA-N
XLogP3.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

isoquinolin-8-yl-(1-methoxycyclobutyl)methanamine
CID 103143784
2-cyclohexyl-1-isoquinolin-8-ylethanamine
CID 103135918
3-cyclopentyl-1-isoquinolin-8-ylpropan-1-amine
CID 103136749
(1-ethylcyclopentyl)-isoquinolin-5-ylmethanamine
CID 115853123
(2-methylthiolan-2-yl)-(2-propoxyphenyl)methanamine
CID 105180756
isoquinolin-8-yl-(4-methyl-3-pyridinyl)methanamine
CID 103143849
isoquinolin-8-yl-(2-methylcyclopropyl)methanamine
CID 103137397
1-(2,2-dimethylcyclopropyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 107005206
1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136425
1-isoquinolin-8-yl-1-(1-methoxycyclopentyl)-N-methylmethanamine
CID 103143775
isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine
CID 103137421
isoquinolin-8-yl-(4-methylphenyl)methanamine
CID 103136734

Frequently Asked Questions

What is the IUPAC name of isoquinolin-8-yl-(2-methylthiolan-2-yl)methanamine?
The IUPAC name of isoquinolin-8-yl-(2-methylthiolan-2-yl)methanamine (CID 103137667) is isoquinolin-8-yl-(2-methylthiolan-2-yl)methanamine.
What is the SMILES notation for isoquinolin-8-yl-(2-methylthiolan-2-yl)methanamine?
The canonical SMILES for isoquinolin-8-yl-(2-methylthiolan-2-yl)methanamine is CC1(C(N)c2cccc3ccncc23)CCCS1.
What is the InChIKey of isoquinolin-8-yl-(2-methylthiolan-2-yl)methanamine?
The InChIKey is HAUYKWHVSYOQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-15(7-3-9-18-15)14(16)12-5-2-4-11-6-8-17-10-13(11)12/h2,4-6,8,10,14H,3,7,9,16H2,1H3.
What are the key properties of isoquinolin-8-yl-(2-methylthiolan-2-yl)methanamine?
isoquinolin-8-yl-(2-methylthiolan-2-yl)methanamine has a molecular weight of 258.39 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-8-yl-(2-methylthiolan-2-yl)methanamine is sourced from PubChem (CID 103137667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).