(1S)-N-(isoquinolin-6-ylmethyl)-1-thiophen-2-ylethanamine

C16H16N2S — CID 107038718

IUPAC(1S)-N-(isoquinolin-6-ylmethyl)-1-thiophen-2-ylethanamine
SMILESC[C@H](NCc1ccc2cnccc2c1)c1cccs1
InChIInChI=1S/C16H16N2S/c1-12(16-3-2-8-19-16)18-10-13-4-5-15-11-17-7-6-14(15)9-13/h2-9,11-12,18H,10H2,1H3/t12-/m0/s1
InChIKeyRMGSARAWENIYCH-LBPRGKRZSA-N
MW268.38 g/mol
LogP4.15
Rot. Bonds4

About (1S)-N-(isoquinolin-6-ylmethyl)-1-thiophen-2-ylethanamine

(1S)-N-(isoquinolin-6-ylmethyl)-1-thiophen-2-ylethanamine (PubChem CID 107038718) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (1S)-N-(isoquinolin-6-ylmethyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-(isoquinolin-6-ylmethyl)-1-thiophen-2-ylethanamine
PubChem CID107038718
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name(1S)-N-(isoquinolin-6-ylmethyl)-1-thiophen-2-ylethanamine
SMILESC[C@H](NCc1ccc2cnccc2c1)c1cccs1
InChIInChI=1S/C16H16N2S/c1-12(16-3-2-8-19-16)18-10-13-4-5-15-11-17-7-6-14(15)9-13/h2-9,11-12,18H,10H2,1H3/t12-/m0/s1
InChIKeyRMGSARAWENIYCH-LBPRGKRZSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-N-(isoquinolin-6-ylmethyl)-1-thiophen-2-ylethanamine 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

(1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine
CID 105378592
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683372
3-[1-(isoquinolin-6-ylmethylamino)ethyl]phenol
CID 107037984
N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178109
1-(1H-imidazol-2-yl)-N-(isoquinolin-6-ylmethyl)ethanamine
CID 107038994
(1S)-N-[(4-bromo-3-methylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398523
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398150
(1S)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine
CID 107038710
N-(isoquinolin-6-ylmethyl)heptan-2-amine
CID 107037843
methyl (2S)-2-(isoquinolin-6-ylmethylamino)propanoate
CID 107037943
(1R)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine
CID 107038712

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(isoquinolin-6-ylmethyl)-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-(isoquinolin-6-ylmethyl)-1-thiophen-2-ylethanamine (CID 107038718) is (1S)-N-(isoquinolin-6-ylmethyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-(isoquinolin-6-ylmethyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-(isoquinolin-6-ylmethyl)-1-thiophen-2-ylethanamine is C[C@H](NCc1ccc2cnccc2c1)c1cccs1.
What is the InChIKey of (1S)-N-(isoquinolin-6-ylmethyl)-1-thiophen-2-ylethanamine?
The InChIKey is RMGSARAWENIYCH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16N2S/c1-12(16-3-2-8-19-16)18-10-13-4-5-15-11-17-7-6-14(15)9-13/h2-9,11-12,18H,10H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-N-(isoquinolin-6-ylmethyl)-1-thiophen-2-ylethanamine?
(1S)-N-(isoquinolin-6-ylmethyl)-1-thiophen-2-ylethanamine has a molecular weight of 268.38 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(isoquinolin-6-ylmethyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 107038718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).