2-tert-butylsulfanyl-N-(2,6-difluoro-3-pyridinyl)acetamide

C11H14F2N2OS — CID 103097666

IUPAC2-tert-butylsulfanyl-N-(2,6-difluoro-3-pyridinyl)acetamide
SMILESCC(C)(C)SCC(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C11H14F2N2OS/c1-11(2,3)17-6-9(16)14-7-4-5-8(12)15-10(7)13/h4-5H,6H2,1-3H3,(H,14,16)
InChIKeyVQGFHJOCCFNYPI-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.83
Rot. Bonds3

About 2-tert-butylsulfanyl-N-(2,6-difluoro-3-pyridinyl)acetamide

2-tert-butylsulfanyl-N-(2,6-difluoro-3-pyridinyl)acetamide (PubChem CID 103097666) has the molecular formula C11H14F2N2OS and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-(2,6-difluoro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-(2,6-difluoro-3-pyridinyl)acetamide
PubChem CID103097666
Molecular FormulaC11H14F2N2OS
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name2-tert-butylsulfanyl-N-(2,6-difluoro-3-pyridinyl)acetamide
SMILESCC(C)(C)SCC(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C11H14F2N2OS/c1-11(2,3)17-6-9(16)14-7-4-5-8(12)15-10(7)13/h4-5H,6H2,1-3H3,(H,14,16)
InChIKeyVQGFHJOCCFNYPI-UHFFFAOYSA-N
XLogP2.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-(2,6-difluoro-3-pyridinyl)acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-(2,6-difluoro-3-pyridinyl)acetamide (CID 103097666) is 2-tert-butylsulfanyl-N-(2,6-difluoro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-(2,6-difluoro-3-pyridinyl)acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-(2,6-difluoro-3-pyridinyl)acetamide is CC(C)(C)SCC(=O)Nc1ccc(F)nc1F.
What is the InChIKey of 2-tert-butylsulfanyl-N-(2,6-difluoro-3-pyridinyl)acetamide?
The InChIKey is VQGFHJOCCFNYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2OS/c1-11(2,3)17-6-9(16)14-7-4-5-8(12)15-10(7)13/h4-5H,6H2,1-3H3,(H,14,16).
What are the key properties of 2-tert-butylsulfanyl-N-(2,6-difluoro-3-pyridinyl)acetamide?
2-tert-butylsulfanyl-N-(2,6-difluoro-3-pyridinyl)acetamide has a molecular weight of 260.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-(2,6-difluoro-3-pyridinyl)acetamide is sourced from PubChem (CID 103097666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).