N-(isoquinolin-6-ylmethyl)-2-methylsulfanylcyclopentan-1-amine

C16H20N2S — CID 107166477

IUPACN-(isoquinolin-6-ylmethyl)-2-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCCC1NCc1ccc2cnccc2c1
InChIInChI=1S/C16H20N2S/c1-19-16-4-2-3-15(16)18-10-12-5-6-14-11-17-8-7-13(14)9-12/h5-9,11,15-16,18H,2-4,10H2,1H3
InChIKeyRHLPZXYWGPLDDJ-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.61
Rot. Bonds4

About N-(isoquinolin-6-ylmethyl)-2-methylsulfanylcyclopentan-1-amine

N-(isoquinolin-6-ylmethyl)-2-methylsulfanylcyclopentan-1-amine (PubChem CID 107166477) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-(isoquinolin-6-ylmethyl)-2-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(isoquinolin-6-ylmethyl)-2-methylsulfanylcyclopentan-1-amine
PubChem CID107166477
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-(isoquinolin-6-ylmethyl)-2-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCCC1NCc1ccc2cnccc2c1
InChIInChI=1S/C16H20N2S/c1-19-16-4-2-3-15(16)18-10-12-5-6-14-11-17-8-7-13(14)9-12/h5-9,11,15-16,18H,2-4,10H2,1H3
InChIKeyRHLPZXYWGPLDDJ-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(isoquinolin-6-ylmethyl)-2-methylsulfanylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103701214
2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine
CID 113243458
N-[(4-bromo-3-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103773733
(1S)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine
CID 107038710
(1R)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine
CID 107038712
1-cyclopropyl-N-(isoquinolin-6-ylmethyl)piperidin-4-amine
CID 107037982
2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 103701066
2-methylsulfanyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 103777301
N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
CID 107037686
N-[(3,5-dimethylphenyl)methyl]-4-isoquinolin-6-yloxycyclohexan-1-amine
CID 59268586
N-(isoquinolin-6-ylmethyl)-2-(oxolan-2-yl)ethanamine
CID 107038110
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103793218

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-6-ylmethyl)-2-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-(isoquinolin-6-ylmethyl)-2-methylsulfanylcyclopentan-1-amine (CID 107166477) is N-(isoquinolin-6-ylmethyl)-2-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-(isoquinolin-6-ylmethyl)-2-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-(isoquinolin-6-ylmethyl)-2-methylsulfanylcyclopentan-1-amine is CSC1CCCC1NCc1ccc2cnccc2c1.
What is the InChIKey of N-(isoquinolin-6-ylmethyl)-2-methylsulfanylcyclopentan-1-amine?
The InChIKey is RHLPZXYWGPLDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-19-16-4-2-3-15(16)18-10-12-5-6-14-11-17-8-7-13(14)9-12/h5-9,11,15-16,18H,2-4,10H2,1H3.
What are the key properties of N-(isoquinolin-6-ylmethyl)-2-methylsulfanylcyclopentan-1-amine?
N-(isoquinolin-6-ylmethyl)-2-methylsulfanylcyclopentan-1-amine has a molecular weight of 272.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-6-ylmethyl)-2-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 107166477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).