N-(4-methylsulfanylbutan-2-yl)isoquinolin-1-amine

C14H18N2S — CID 113477681

IUPACN-(4-methylsulfanylbutan-2-yl)isoquinolin-1-amine
SMILESCSCCC(C)Nc1nccc2ccccc12
InChIInChI=1S/C14H18N2S/c1-11(8-10-17-2)16-14-13-6-4-3-5-12(13)7-9-15-14/h3-7,9,11H,8,10H2,1-2H3,(H,15,16)
InChIKeySJIFQLJAGTZTAZ-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.79
Rot. Bonds5

About N-(4-methylsulfanylbutan-2-yl)isoquinolin-1-amine

N-(4-methylsulfanylbutan-2-yl)isoquinolin-1-amine (PubChem CID 113477681) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(4-methylsulfanylbutan-2-yl)isoquinolin-1-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutan-2-yl)isoquinolin-1-amine
PubChem CID113477681
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-(4-methylsulfanylbutan-2-yl)isoquinolin-1-amine
SMILESCSCCC(C)Nc1nccc2ccccc12
InChIInChI=1S/C14H18N2S/c1-11(8-10-17-2)16-14-13-6-4-3-5-12(13)7-9-15-14/h3-7,9,11H,8,10H2,1-2H3,(H,15,16)
InChIKeySJIFQLJAGTZTAZ-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-(4-methylsulfanylbutan-2-ylamino)pyridine-4-carboxylic acid
CID 105382664
N-(4-methylsulfanylbutan-2-yl)-1,2,4-benzotriazin-3-amine
CID 103204497
ethane;isoquinolin-1-ylhydrazine
CID 142316933
2-(isoquinolin-1-ylamino)-4-methoxybutan-1-ol
CID 114210816
2-(4-methylsulfanylbutan-2-ylamino)quinoline-4-carbonitrile
CID 115637714
N-(4-ethylsulfanylbutan-2-yl)thieno[3,2-c]pyridin-4-amine
CID 115744792
N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 115663445
N-(4-methylsulfanylbutan-2-yl)pyrido[2,3-b]pyrazin-6-amine
CID 115637702
N-(4-chlorobutan-2-yl)-6-methoxyisoquinolin-1-amine
CID 106543022
N-tert-butylisoquinolin-1-amine;hydrate
CID 51057763
5-bromo-N-(4-methylsulfanylbutan-2-yl)pyrimidin-4-amine
CID 115714993
N-(4-methylsulfanylbutan-2-yl)-5-nitroquinolin-8-amine
CID 115637728

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutan-2-yl)isoquinolin-1-amine?
The IUPAC name of N-(4-methylsulfanylbutan-2-yl)isoquinolin-1-amine (CID 113477681) is N-(4-methylsulfanylbutan-2-yl)isoquinolin-1-amine.
What is the SMILES notation for N-(4-methylsulfanylbutan-2-yl)isoquinolin-1-amine?
The canonical SMILES for N-(4-methylsulfanylbutan-2-yl)isoquinolin-1-amine is CSCCC(C)Nc1nccc2ccccc12.
What is the InChIKey of N-(4-methylsulfanylbutan-2-yl)isoquinolin-1-amine?
The InChIKey is SJIFQLJAGTZTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-11(8-10-17-2)16-14-13-6-4-3-5-12(13)7-9-15-14/h3-7,9,11H,8,10H2,1-2H3,(H,15,16).
What are the key properties of N-(4-methylsulfanylbutan-2-yl)isoquinolin-1-amine?
N-(4-methylsulfanylbutan-2-yl)isoquinolin-1-amine has a molecular weight of 246.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutan-2-yl)isoquinolin-1-amine is sourced from PubChem (CID 113477681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).