1-pentyl-2-sulfanylidenepyridine-3-carboxamide

C11H16N2OS — CID 146452042

IUPAC1-pentyl-2-sulfanylidenepyridine-3-carboxamide
SMILESCCCCCn1cccc(C(N)=O)c1=S
InChIInChI=1S/C11H16N2OS/c1-2-3-4-7-13-8-5-6-9(10(12)14)11(13)15/h5-6,8H,2-4,7H2,1H3,(H2,12,14)
InChIKeyPFNFZLXMEBSTMA-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.51
Rot. Bonds5

About 1-pentyl-2-sulfanylidenepyridine-3-carboxamide

1-pentyl-2-sulfanylidenepyridine-3-carboxamide (PubChem CID 146452042) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-pentyl-2-sulfanylidenepyridine-3-carboxamide.

Molecular Properties

Compound Name1-pentyl-2-sulfanylidenepyridine-3-carboxamide
PubChem CID146452042
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-pentyl-2-sulfanylidenepyridine-3-carboxamide
SMILESCCCCCn1cccc(C(N)=O)c1=S
InChIInChI=1S/C11H16N2OS/c1-2-3-4-7-13-8-5-6-9(10(12)14)11(13)15/h5-6,8H,2-4,7H2,1H3,(H2,12,14)
InChIKeyPFNFZLXMEBSTMA-UHFFFAOYSA-N
XLogP2.51
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pentyl-2-sulfanylidenepyridine-3-carboxamide?
The IUPAC name of 1-pentyl-2-sulfanylidenepyridine-3-carboxamide (CID 146452042) is 1-pentyl-2-sulfanylidenepyridine-3-carboxamide.
What is the SMILES notation for 1-pentyl-2-sulfanylidenepyridine-3-carboxamide?
The canonical SMILES for 1-pentyl-2-sulfanylidenepyridine-3-carboxamide is CCCCCn1cccc(C(N)=O)c1=S.
What is the InChIKey of 1-pentyl-2-sulfanylidenepyridine-3-carboxamide?
The InChIKey is PFNFZLXMEBSTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-2-3-4-7-13-8-5-6-9(10(12)14)11(13)15/h5-6,8H,2-4,7H2,1H3,(H2,12,14).
What are the key properties of 1-pentyl-2-sulfanylidenepyridine-3-carboxamide?
1-pentyl-2-sulfanylidenepyridine-3-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-2-sulfanylidenepyridine-3-carboxamide is sourced from PubChem (CID 146452042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).