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

C11H18N4OS — CID 63381250

IUPAC2-methyl-2-(methylamino)-5-pyrazin-2-ylsulfanylpentanamide
SMILESCNC(C)(CCCSc1cnccn1)C(N)=O
InChIInChI=1S/C11H18N4OS/c1-11(13-2,10(12)16)4-3-7-17-9-8-14-5-6-15-9/h5-6,8,13H,3-4,7H2,1-2H3,(H2,12,16)
InChIKeyGAIRXQPVTCNYNF-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.81
Rot. Bonds7

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

2-methyl-2-(methylamino)-5-pyrazin-2-ylsulfanylpentanamide (PubChem CID 63381250) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-5-pyrazin-2-ylsulfanylpentanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-5-pyrazin-2-ylsulfanylpentanamide
PubChem CID63381250
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-methyl-2-(methylamino)-5-pyrazin-2-ylsulfanylpentanamide
SMILESCNC(C)(CCCSc1cnccn1)C(N)=O
InChIInChI=1S/C11H18N4OS/c1-11(13-2,10(12)16)4-3-7-17-9-8-14-5-6-15-9/h5-6,8,13H,3-4,7H2,1-2H3,(H2,12,16)
InChIKeyGAIRXQPVTCNYNF-UHFFFAOYSA-N
XLogP0.81
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.81
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-(methylamino)-5-pyrazin-2-ylsulfanylpentanamide?
The IUPAC name of 2-methyl-2-(methylamino)-5-pyrazin-2-ylsulfanylpentanamide (CID 63381250) is 2-methyl-2-(methylamino)-5-pyrazin-2-ylsulfanylpentanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-5-pyrazin-2-ylsulfanylpentanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-5-pyrazin-2-ylsulfanylpentanamide is CNC(C)(CCCSc1cnccn1)C(N)=O.
What is the InChIKey of 2-methyl-2-(methylamino)-5-pyrazin-2-ylsulfanylpentanamide?
The InChIKey is GAIRXQPVTCNYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-11(13-2,10(12)16)4-3-7-17-9-8-14-5-6-15-9/h5-6,8,13H,3-4,7H2,1-2H3,(H2,12,16).
What are the key properties of 2-methyl-2-(methylamino)-5-pyrazin-2-ylsulfanylpentanamide?
2-methyl-2-(methylamino)-5-pyrazin-2-ylsulfanylpentanamide has a molecular weight of 254.36 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-5-pyrazin-2-ylsulfanylpentanamide is sourced from PubChem (CID 63381250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).