2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanamide

C10H16N4OS — CID 63381202

IUPAC2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanamide
SMILESCC(N)(CCCSc1cnccn1)C(N)=O
InChIInChI=1S/C10H16N4OS/c1-10(12,9(11)15)3-2-6-16-8-7-13-4-5-14-8/h4-5,7H,2-3,6,12H2,1H3,(H2,11,15)
InChIKeyNNHHUFSJXKRUAT-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.55
Rot. Bonds6

About 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanamide

2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanamide (PubChem CID 63381202) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanamide
PubChem CID63381202
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanamide
SMILESCC(N)(CCCSc1cnccn1)C(N)=O
InChIInChI=1S/C10H16N4OS/c1-10(12,9(11)15)3-2-6-16-8-7-13-4-5-14-8/h4-5,7H,2-3,6,12H2,1H3,(H2,11,15)
InChIKeyNNHHUFSJXKRUAT-UHFFFAOYSA-N
XLogP0.55
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.55
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-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanamide?
The IUPAC name of 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanamide (CID 63381202) is 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanamide.
What is the SMILES notation for 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanamide?
The canonical SMILES for 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanamide is CC(N)(CCCSc1cnccn1)C(N)=O.
What is the InChIKey of 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanamide?
The InChIKey is NNHHUFSJXKRUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-10(12,9(11)15)3-2-6-16-8-7-13-4-5-14-8/h4-5,7H,2-3,6,12H2,1H3,(H2,11,15).
What are the key properties of 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanamide?
2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanamide has a molecular weight of 240.33 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentanamide is sourced from PubChem (CID 63381202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).