2-ethylsulfinyl-N-[(2-methylquinolin-6-yl)methyl]ethanamine

C15H20N2OS — CID 105378704

IUPAC2-ethylsulfinyl-N-[(2-methylquinolin-6-yl)methyl]ethanamine
SMILESCCS(=O)CCNCc1ccc2nc(C)ccc2c1
InChIInChI=1S/C15H20N2OS/c1-3-19(18)9-8-16-11-13-5-7-15-14(10-13)6-4-12(2)17-15/h4-7,10,16H,3,8-9,11H2,1-2H3
InChIKeyZELGJDKKWDCQOI-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.40
Rot. Bonds6

About 2-ethylsulfinyl-N-[(2-methylquinolin-6-yl)methyl]ethanamine

2-ethylsulfinyl-N-[(2-methylquinolin-6-yl)methyl]ethanamine (PubChem CID 105378704) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-ethylsulfinyl-N-[(2-methylquinolin-6-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethylsulfinyl-N-[(2-methylquinolin-6-yl)methyl]ethanamine
PubChem CID105378704
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name2-ethylsulfinyl-N-[(2-methylquinolin-6-yl)methyl]ethanamine
SMILESCCS(=O)CCNCc1ccc2nc(C)ccc2c1
InChIInChI=1S/C15H20N2OS/c1-3-19(18)9-8-16-11-13-5-7-15-14(10-13)6-4-12(2)17-15/h4-7,10,16H,3,8-9,11H2,1-2H3
InChIKeyZELGJDKKWDCQOI-UHFFFAOYSA-N
XLogP2.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide
CID 105378256
3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 105378460
N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine
CID 105378209
2-ethylsulfinyl-N-[(4-methylphenyl)methyl]ethanamine
CID 115627091
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
CID 105378223
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609
2-[(2-ethylsulfinylethylamino)methyl]-6-methylpyridin-3-ol
CID 115627139
2-ethylsulfinyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 115627092
3-(2-methylquinolin-6-yl)-N-propylpropan-1-amine
CID 81221614
1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 105378240
N,N-dimethyl-2-[(2-methylquinolin-6-yl)methylamino]acetamide
CID 105378280

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-N-[(2-methylquinolin-6-yl)methyl]ethanamine?
The IUPAC name of 2-ethylsulfinyl-N-[(2-methylquinolin-6-yl)methyl]ethanamine (CID 105378704) is 2-ethylsulfinyl-N-[(2-methylquinolin-6-yl)methyl]ethanamine.
What is the SMILES notation for 2-ethylsulfinyl-N-[(2-methylquinolin-6-yl)methyl]ethanamine?
The canonical SMILES for 2-ethylsulfinyl-N-[(2-methylquinolin-6-yl)methyl]ethanamine is CCS(=O)CCNCc1ccc2nc(C)ccc2c1.
What is the InChIKey of 2-ethylsulfinyl-N-[(2-methylquinolin-6-yl)methyl]ethanamine?
The InChIKey is ZELGJDKKWDCQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-19(18)9-8-16-11-13-5-7-15-14(10-13)6-4-12(2)17-15/h4-7,10,16H,3,8-9,11H2,1-2H3.
What are the key properties of 2-ethylsulfinyl-N-[(2-methylquinolin-6-yl)methyl]ethanamine?
2-ethylsulfinyl-N-[(2-methylquinolin-6-yl)methyl]ethanamine has a molecular weight of 276.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-N-[(2-methylquinolin-6-yl)methyl]ethanamine is sourced from PubChem (CID 105378704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).