2-methyl-2-(propylamino)-5-pyrazin-2-ylsulfanylpentanamide

C13H22N4OS — CID 55250062

IUPAC2-methyl-2-(propylamino)-5-pyrazin-2-ylsulfanylpentanamide
SMILESCCCNC(C)(CCCSc1cnccn1)C(N)=O
InChIInChI=1S/C13H22N4OS/c1-3-6-17-13(2,12(14)18)5-4-9-19-11-10-15-7-8-16-11/h7-8,10,17H,3-6,9H2,1-2H3,(H2,14,18)
InChIKeyIUTCRCUSVOXJQV-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.59
Rot. Bonds9

About 2-methyl-2-(propylamino)-5-pyrazin-2-ylsulfanylpentanamide

2-methyl-2-(propylamino)-5-pyrazin-2-ylsulfanylpentanamide (PubChem CID 55250062) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-methyl-2-(propylamino)-5-pyrazin-2-ylsulfanylpentanamide.

Molecular Properties

Compound Name2-methyl-2-(propylamino)-5-pyrazin-2-ylsulfanylpentanamide
PubChem CID55250062
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-methyl-2-(propylamino)-5-pyrazin-2-ylsulfanylpentanamide
SMILESCCCNC(C)(CCCSc1cnccn1)C(N)=O
InChIInChI=1S/C13H22N4OS/c1-3-6-17-13(2,12(14)18)5-4-9-19-11-10-15-7-8-16-11/h7-8,10,17H,3-6,9H2,1-2H3,(H2,14,18)
InChIKeyIUTCRCUSVOXJQV-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylamino)-5-pyrazin-2-ylsulfanylpentanamide?
The IUPAC name of 2-methyl-2-(propylamino)-5-pyrazin-2-ylsulfanylpentanamide (CID 55250062) is 2-methyl-2-(propylamino)-5-pyrazin-2-ylsulfanylpentanamide.
What is the SMILES notation for 2-methyl-2-(propylamino)-5-pyrazin-2-ylsulfanylpentanamide?
The canonical SMILES for 2-methyl-2-(propylamino)-5-pyrazin-2-ylsulfanylpentanamide is CCCNC(C)(CCCSc1cnccn1)C(N)=O.
What is the InChIKey of 2-methyl-2-(propylamino)-5-pyrazin-2-ylsulfanylpentanamide?
The InChIKey is IUTCRCUSVOXJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-3-6-17-13(2,12(14)18)5-4-9-19-11-10-15-7-8-16-11/h7-8,10,17H,3-6,9H2,1-2H3,(H2,14,18).
What are the key properties of 2-methyl-2-(propylamino)-5-pyrazin-2-ylsulfanylpentanamide?
2-methyl-2-(propylamino)-5-pyrazin-2-ylsulfanylpentanamide 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-methyl-2-(propylamino)-5-pyrazin-2-ylsulfanylpentanamide is sourced from PubChem (CID 55250062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).