1-decyl-2-oxopyridine-3-carbothioamide

C16H26N2OS — CID 107017794

IUPAC1-decyl-2-oxopyridine-3-carbothioamide
SMILESCCCCCCCCCCn1cccc(C(N)=S)c1=O
InChIInChI=1S/C16H26N2OS/c1-2-3-4-5-6-7-8-9-12-18-13-10-11-14(15(17)20)16(18)19/h10-11,13H,2-9,12H2,1H3,(H2,17,20)
InChIKeyLPCGDOJROZMGGZ-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.62
Rot. Bonds10

About 1-decyl-2-oxopyridine-3-carbothioamide

1-decyl-2-oxopyridine-3-carbothioamide (PubChem CID 107017794) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 1-decyl-2-oxopyridine-3-carbothioamide.

Molecular Properties

Compound Name1-decyl-2-oxopyridine-3-carbothioamide
PubChem CID107017794
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name1-decyl-2-oxopyridine-3-carbothioamide
SMILESCCCCCCCCCCn1cccc(C(N)=S)c1=O
InChIInChI=1S/C16H26N2OS/c1-2-3-4-5-6-7-8-9-12-18-13-10-11-14(15(17)20)16(18)19/h10-11,13H,2-9,12H2,1H3,(H2,17,20)
InChIKeyLPCGDOJROZMGGZ-UHFFFAOYSA-N
XLogP3.62
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.62
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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Related Compounds

N-hexyl-2-sulfanyl-pyridine-3-carboxamide
CID 3002822
N-pentyl-2-sulfanylpyridine-3-carboxamide
CID 4117618
N-(12-fluorododecyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 177962614
N-octyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 13502200
N-nonyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 42884041
1-octyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330982
1-nonyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330989
1-Nonyl-2-sulfanylidenepyridine-3-carboxamide
CID 146452033
1-Pentyl-2-sulfanylidenepyridine-3-carboxamide
CID 146452042
1-Octyl-2-sulfanylidenepyridine-3-carboxamide
CID 146452062
1-pentadecan-8-yl-2H-pyridine-3-carboxamide
CID 146482469
N-dodecyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 177253759

Frequently Asked Questions

What is the IUPAC name of 1-decyl-2-oxopyridine-3-carbothioamide?
The IUPAC name of 1-decyl-2-oxopyridine-3-carbothioamide (CID 107017794) is 1-decyl-2-oxopyridine-3-carbothioamide.
What is the SMILES notation for 1-decyl-2-oxopyridine-3-carbothioamide?
The canonical SMILES for 1-decyl-2-oxopyridine-3-carbothioamide is CCCCCCCCCCn1cccc(C(N)=S)c1=O.
What is the InChIKey of 1-decyl-2-oxopyridine-3-carbothioamide?
The InChIKey is LPCGDOJROZMGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-2-3-4-5-6-7-8-9-12-18-13-10-11-14(15(17)20)16(18)19/h10-11,13H,2-9,12H2,1H3,(H2,17,20).
What are the key properties of 1-decyl-2-oxopyridine-3-carbothioamide?
1-decyl-2-oxopyridine-3-carbothioamide has a molecular weight of 294.46 g/mol, XLogP of 3.62, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2-oxopyridine-3-carbothioamide is sourced from PubChem (CID 107017794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).