2-(ethylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanamide

C13H22N4OS — CID 55247550

IUPAC2-(ethylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanamide
SMILESCCNC(C)(CCCCSc1cnccn1)C(N)=O
InChIInChI=1S/C13H22N4OS/c1-3-17-13(2,12(14)18)6-4-5-9-19-11-10-15-7-8-16-11/h7-8,10,17H,3-6,9H2,1-2H3,(H2,14,18)
InChIKeyHJZAYKULIAXPSM-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.59
Rot. Bonds9

About 2-(ethylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanamide

2-(ethylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanamide (PubChem CID 55247550) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanamide.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanamide
PubChem CID55247550
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-(ethylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanamide
SMILESCCNC(C)(CCCCSc1cnccn1)C(N)=O
InChIInChI=1S/C13H22N4OS/c1-3-17-13(2,12(14)18)6-4-5-9-19-11-10-15-7-8-16-11/h7-8,10,17H,3-6,9H2,1-2H3,(H2,14,18)
InChIKeyHJZAYKULIAXPSM-UHFFFAOYSA-N
XLogP1.59
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(ethylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanamide 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

2-Methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutanamide
CID 55247746
2-(Cyclopropylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanamide
CID 55247747
2-(Propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide
CID 55247942
2-Methyl-2-(propylamino)-5-pyrazin-2-ylsulfanylpentanamide
CID 55250062
2-Amino-2-methyl-5-pyrazin-2-ylsulfanylpentanamide
CID 63381202
Methyl 2-methyl-2-(methylamino)-5-pyrazin-2-ylsulfanylpentanoate
CID 63381203
2-Methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylbutanamide
CID 63381210
2-Methyl-2-(methylamino)-5-pyrazin-2-ylsulfanylpentanamide
CID 63381250
Methyl 2-(ethylamino)-2-methyl-5-pyrazin-2-ylsulfanylpentanoate
CID 63381251
2-(Methylamino)-3-pyrazin-2-ylsulfanylpropanamide
CID 63381255
2-(Ethylamino)-2-methyl-5-pyrazin-2-ylsulfanylpentanamide
CID 63381296
Methyl 2-methyl-2-(propylamino)-5-pyrazin-2-ylsulfanylpentanoate
CID 63381297

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanamide?
The IUPAC name of 2-(ethylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanamide (CID 55247550) is 2-(ethylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanamide.
What is the SMILES notation for 2-(ethylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanamide?
The canonical SMILES for 2-(ethylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanamide is CCNC(C)(CCCCSc1cnccn1)C(N)=O.
What is the InChIKey of 2-(ethylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanamide?
The InChIKey is HJZAYKULIAXPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-3-17-13(2,12(14)18)6-4-5-9-19-11-10-15-7-8-16-11/h7-8,10,17H,3-6,9H2,1-2H3,(H2,14,18).
What are the key properties of 2-(ethylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanamide?
2-(ethylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanamide has a molecular weight of 282.41 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanamide is sourced from PubChem (CID 55247550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).