2-methylsulfanylpent-4-enamide

C6H11NOS — CID 12592963

IUPAC2-methylsulfanylpent-4-enamide
SMILESC=CCC(SC)C(N)=O
InChIInChI=1S/C6H11NOS/c1-3-4-5(9-2)6(7)8/h3,5H,1,4H2,2H3,(H2,7,8)
InChIKeyACKSSLHVEXGAOC-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.78
Rot. Bonds4

About 2-methylsulfanylpent-4-enamide

2-methylsulfanylpent-4-enamide (PubChem CID 12592963) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 2-methylsulfanylpent-4-enamide.

Molecular Properties

Compound Name2-methylsulfanylpent-4-enamide
PubChem CID12592963
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name2-methylsulfanylpent-4-enamide
SMILESC=CCC(SC)C(N)=O
InChIInChI=1S/C6H11NOS/c1-3-4-5(9-2)6(7)8/h3,5H,1,4H2,2H3,(H2,7,8)
InChIKeyACKSSLHVEXGAOC-UHFFFAOYSA-N
XLogP0.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylpent-4-enamide?
The IUPAC name of 2-methylsulfanylpent-4-enamide (CID 12592963) is 2-methylsulfanylpent-4-enamide.
What is the SMILES notation for 2-methylsulfanylpent-4-enamide?
The canonical SMILES for 2-methylsulfanylpent-4-enamide is C=CCC(SC)C(N)=O.
What is the InChIKey of 2-methylsulfanylpent-4-enamide?
The InChIKey is ACKSSLHVEXGAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-3-4-5(9-2)6(7)8/h3,5H,1,4H2,2H3,(H2,7,8).
What are the key properties of 2-methylsulfanylpent-4-enamide?
2-methylsulfanylpent-4-enamide has a molecular weight of 145.23 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylpent-4-enamide is sourced from PubChem (CID 12592963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).