1-(1,4-dithian-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine

C15H18N2S2 — CID 103143696

IUPAC1-(1,4-dithian-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine
SMILESCNC(c1cccc2ccncc12)C1CSCCS1
InChIInChI=1S/C15H18N2S2/c1-16-15(14-10-18-7-8-19-14)12-4-2-3-11-5-6-17-9-13(11)12/h2-6,9,14-16H,7-8,10H2,1H3
InChIKeyCGVGLIQGCVYMOE-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.34
Rot. Bonds3

About 1-(1,4-dithian-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine

1-(1,4-dithian-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine (PubChem CID 103143696) has the molecular formula C15H18N2S2 and a molecular weight of 290.46 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine
PubChem CID103143696
Molecular FormulaC15H18N2S2
Molecular Weight290.46 g/mol
Exact Mass290.09
IUPAC Name1-(1,4-dithian-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine
SMILESCNC(c1cccc2ccncc12)C1CSCCS1
InChIInChI=1S/C15H18N2S2/c1-16-15(14-10-18-7-8-19-14)12-4-2-3-11-5-6-17-9-13(11)12/h2-6,9,14-16H,7-8,10H2,1H3
InChIKeyCGVGLIQGCVYMOE-UHFFFAOYSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dithian-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 79966450
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-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 103136814
N-[isoquinolin-8-yl(1,4-oxathian-2-yl)methyl]propan-1-amine
CID 103143700
1-(1,4-dimethylpiperazin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103143686
1-(1,4-dithian-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 79966542
1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782
1,4-dithian-2-yl(naphthalen-1-yl)methanol
CID 79973039
1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine
CID 103136230
1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371
3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103137487

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine?
The IUPAC name of 1-(1,4-dithian-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine (CID 103143696) is 1-(1,4-dithian-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine?
The canonical SMILES for 1-(1,4-dithian-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine is CNC(c1cccc2ccncc12)C1CSCCS1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine?
The InChIKey is CGVGLIQGCVYMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S2/c1-16-15(14-10-18-7-8-19-14)12-4-2-3-11-5-6-17-9-13(11)12/h2-6,9,14-16H,7-8,10H2,1H3.
What are the key properties of 1-(1,4-dithian-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine?
1-(1,4-dithian-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine has a molecular weight of 290.46 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine is sourced from PubChem (CID 103143696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).