N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine

C14H18N2O2S — CID 78943321

IUPACN-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine
SMILESCc1cc(CNCCS(C)(=O)=O)c2ccccc2n1
InChIInChI=1S/C14H18N2O2S/c1-11-9-12(10-15-7-8-19(2,17)18)13-5-3-4-6-14(13)16-11/h3-6,9,15H,7-8,10H2,1-2H3
InChIKeyLNZITQHCFOMZMD-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.68
Rot. Bonds5

About N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine

N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine (PubChem CID 78943321) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine
PubChem CID78943321
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine
SMILESCc1cc(CNCCS(C)(=O)=O)c2ccccc2n1
InChIInChI=1S/C14H18N2O2S/c1-11-9-12(10-15-7-8-19(2,17)18)13-5-3-4-6-14(13)16-11/h3-6,9,15H,7-8,10H2,1-2H3
InChIKeyLNZITQHCFOMZMD-UHFFFAOYSA-N
XLogP1.68
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine 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-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine
CID 54904913
2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine
CID 79033204
ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate
CID 79235448
N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine
CID 78943020
2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine
CID 78942785
2-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-4-amine
CID 71996177
2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide
CID 78942753
1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978650
N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 115764108
N-[(4-methyl-3-pyridinyl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 114954791

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine?
The IUPAC name of N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine (CID 78943321) is N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine.
What is the SMILES notation for N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine?
The canonical SMILES for N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine is Cc1cc(CNCCS(C)(=O)=O)c2ccccc2n1.
What is the InChIKey of N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine?
The InChIKey is LNZITQHCFOMZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-11-9-12(10-15-7-8-19(2,17)18)13-5-3-4-6-14(13)16-11/h3-6,9,15H,7-8,10H2,1-2H3.
What are the key properties of N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine?
N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine has a molecular weight of 278.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine is sourced from PubChem (CID 78943321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).