N-ethyl-2-ethylsulfanyl-1-(5-methyl-3-pyridinyl)ethanamine

C12H20N2S — CID 115374602

IUPACN-ethyl-2-ethylsulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
SMILESCCNC(CSCC)c1cncc(C)c1
InChIInChI=1S/C12H20N2S/c1-4-14-12(9-15-5-2)11-6-10(3)7-13-8-11/h6-8,12,14H,4-5,9H2,1-3H3
InChIKeyDJADQBKQYZSLEF-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.79
Rot. Bonds6

About N-ethyl-2-ethylsulfanyl-1-(5-methyl-3-pyridinyl)ethanamine

N-ethyl-2-ethylsulfanyl-1-(5-methyl-3-pyridinyl)ethanamine (PubChem CID 115374602) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-ethyl-2-ethylsulfanyl-1-(5-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-ethylsulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
PubChem CID115374602
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-ethyl-2-ethylsulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
SMILESCCNC(CSCC)c1cncc(C)c1
InChIInChI=1S/C12H20N2S/c1-4-14-12(9-15-5-2)11-6-10(3)7-13-8-11/h6-8,12,14H,4-5,9H2,1-3H3
InChIKeyDJADQBKQYZSLEF-UHFFFAOYSA-N
XLogP2.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-methylphenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374729
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374735
N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374715
N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine
CID 115374427
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65135758
2-(2,5-dichlorophenyl)-N-ethyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105151514
N-ethyl-1-(5-methyl-3-pyridinyl)-3-pyridin-4-ylpropan-1-amine
CID 105173949
N-ethyl-1-(5-methyl-3-pyridinyl)hex-5-yn-1-amine
CID 105179743
N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023254
N-ethyl-2-ethylsulfanyl-1-quinolin-3-ylethanamine
CID 65127903
N-ethyl-2-ethylsulfanyl-1-phenylethanamine
CID 64613608
N-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine
CID 105022970

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-ethylsulfanyl-1-(5-methyl-3-pyridinyl)ethanamine?
The IUPAC name of N-ethyl-2-ethylsulfanyl-1-(5-methyl-3-pyridinyl)ethanamine (CID 115374602) is N-ethyl-2-ethylsulfanyl-1-(5-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for N-ethyl-2-ethylsulfanyl-1-(5-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for N-ethyl-2-ethylsulfanyl-1-(5-methyl-3-pyridinyl)ethanamine is CCNC(CSCC)c1cncc(C)c1.
What is the InChIKey of N-ethyl-2-ethylsulfanyl-1-(5-methyl-3-pyridinyl)ethanamine?
The InChIKey is DJADQBKQYZSLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-4-14-12(9-15-5-2)11-6-10(3)7-13-8-11/h6-8,12,14H,4-5,9H2,1-3H3.
What are the key properties of N-ethyl-2-ethylsulfanyl-1-(5-methyl-3-pyridinyl)ethanamine?
N-ethyl-2-ethylsulfanyl-1-(5-methyl-3-pyridinyl)ethanamine has a molecular weight of 224.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-ethylsulfanyl-1-(5-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 115374602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).