1-octyl-2-sulfanyl-2H-pyridine-3-carboxamide

C14H24N2OS — CID 141330982

IUPAC1-octyl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESCCCCCCCCN1C=CC=C(C(N)=O)C1S
InChIInChI=1S/C14H24N2OS/c1-2-3-4-5-6-7-10-16-11-8-9-12(13(15)17)14(16)18/h8-9,11,14,18H,2-7,10H2,1H3,(H2,15,17)
InChIKeyVMXKWOBMKJUTBR-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.84
Rot. Bonds8

About 1-octyl-2-sulfanyl-2H-pyridine-3-carboxamide

1-octyl-2-sulfanyl-2H-pyridine-3-carboxamide (PubChem CID 141330982) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-octyl-2-sulfanyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-octyl-2-sulfanyl-2H-pyridine-3-carboxamide
PubChem CID141330982
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-octyl-2-sulfanyl-2H-pyridine-3-carboxamide
SMILESCCCCCCCCN1C=CC=C(C(N)=O)C1S
InChIInChI=1S/C14H24N2OS/c1-2-3-4-5-6-7-10-16-11-8-9-12(13(15)17)14(16)18/h8-9,11,14,18H,2-7,10H2,1H3,(H2,15,17)
InChIKeyVMXKWOBMKJUTBR-UHFFFAOYSA-N
XLogP2.84
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-propyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330968
1-cycloheptyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330971
1-propan-2-yl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330973
1-butyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330974
1-methyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330975
1-cyclohexyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330977
1-pentyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330979
1-(2-methylpropyl)-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330980
1-nonyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330989
1-ethyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330990
1-cyclopentyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330992
1-Nonyl-2-sulfanylidenepyridine-3-carboxamide
CID 146452033

Frequently Asked Questions

What is the IUPAC name of 1-octyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The IUPAC name of 1-octyl-2-sulfanyl-2H-pyridine-3-carboxamide (CID 141330982) is 1-octyl-2-sulfanyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-octyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-octyl-2-sulfanyl-2H-pyridine-3-carboxamide is CCCCCCCCN1C=CC=C(C(N)=O)C1S.
What is the InChIKey of 1-octyl-2-sulfanyl-2H-pyridine-3-carboxamide?
The InChIKey is VMXKWOBMKJUTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-2-3-4-5-6-7-10-16-11-8-9-12(13(15)17)14(16)18/h8-9,11,14,18H,2-7,10H2,1H3,(H2,15,17).
What are the key properties of 1-octyl-2-sulfanyl-2H-pyridine-3-carboxamide?
1-octyl-2-sulfanyl-2H-pyridine-3-carboxamide has a molecular weight of 268.43 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-2-sulfanyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 141330982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).