5-methylsulfanyl-N-pyrazin-2-ylpentanamide

C10H15N3OS — CID 86794714

IUPAC5-methylsulfanyl-N-pyrazin-2-ylpentanamide
SMILESCSCCCCC(=O)Nc1cnccn1
InChIInChI=1S/C10H15N3OS/c1-15-7-3-2-4-10(14)13-9-8-11-5-6-12-9/h5-6,8H,2-4,7H2,1H3,(H,12,13,14)
InChIKeyJUMRDHTZTYACOA-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.95
Rot. Bonds6

About 5-methylsulfanyl-N-pyrazin-2-ylpentanamide

5-methylsulfanyl-N-pyrazin-2-ylpentanamide (PubChem CID 86794714) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 5-methylsulfanyl-N-pyrazin-2-ylpentanamide.

Molecular Properties

Compound Name5-methylsulfanyl-N-pyrazin-2-ylpentanamide
PubChem CID86794714
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name5-methylsulfanyl-N-pyrazin-2-ylpentanamide
SMILESCSCCCCC(=O)Nc1cnccn1
InChIInChI=1S/C10H15N3OS/c1-15-7-3-2-4-10(14)13-9-8-11-5-6-12-9/h5-6,8H,2-4,7H2,1H3,(H,12,13,14)
InChIKeyJUMRDHTZTYACOA-UHFFFAOYSA-N
XLogP1.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-methylsulfanyl-N-pyrazin-2-ylpentanamide?
The IUPAC name of 5-methylsulfanyl-N-pyrazin-2-ylpentanamide (CID 86794714) is 5-methylsulfanyl-N-pyrazin-2-ylpentanamide.
What is the SMILES notation for 5-methylsulfanyl-N-pyrazin-2-ylpentanamide?
The canonical SMILES for 5-methylsulfanyl-N-pyrazin-2-ylpentanamide is CSCCCCC(=O)Nc1cnccn1.
What is the InChIKey of 5-methylsulfanyl-N-pyrazin-2-ylpentanamide?
The InChIKey is JUMRDHTZTYACOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-15-7-3-2-4-10(14)13-9-8-11-5-6-12-9/h5-6,8H,2-4,7H2,1H3,(H,12,13,14).
What are the key properties of 5-methylsulfanyl-N-pyrazin-2-ylpentanamide?
5-methylsulfanyl-N-pyrazin-2-ylpentanamide has a molecular weight of 225.32 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-N-pyrazin-2-ylpentanamide is sourced from PubChem (CID 86794714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).