N-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine

C11H18N2S — CID 66272071

IUPACN-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine
SMILESCCNC(CSC)c1cnccc1C
InChIInChI=1S/C11H18N2S/c1-4-13-11(8-14-3)10-7-12-6-5-9(10)2/h5-7,11,13H,4,8H2,1-3H3
InChIKeyUEIBTFUKOOZTII-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.40
Rot. Bonds5

About N-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine

N-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine (PubChem CID 66272071) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine
PubChem CID66272071
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine
SMILESCCNC(CSC)c1cnccc1C
InChIInChI=1S/C11H18N2S/c1-4-13-11(8-14-3)10-7-12-6-5-9(10)2/h5-7,11,13H,4,8H2,1-3H3
InChIKeyUEIBTFUKOOZTII-UHFFFAOYSA-N
XLogP2.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine 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-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine
CID 66272697
N-ethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 79405563
N-ethyl-3-methylidene-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 114878376
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273352
2-(4-bromophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66274181
N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
CID 105164345
N-ethyl-1-(4-methyl-3-pyridinyl)-2-pyridin-2-ylethanamine
CID 66273129
N-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051307
N-[2-(4-bromophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66274003
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878334
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 82806395
N-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine
CID 66272084

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine?
The IUPAC name of N-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine (CID 66272071) is N-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine?
The canonical SMILES for N-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine is CCNC(CSC)c1cnccc1C.
What is the InChIKey of N-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine?
The InChIKey is UEIBTFUKOOZTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-4-13-11(8-14-3)10-7-12-6-5-9(10)2/h5-7,11,13H,4,8H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine?
N-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine has a molecular weight of 210.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine is sourced from PubChem (CID 66272071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).