1-decyl-6-methyl-2-oxopyridine-3-carbothioamide

C17H28N2OS — CID 107073368

IUPAC1-decyl-6-methyl-2-oxopyridine-3-carbothioamide
SMILESCCCCCCCCCCn1c(C)ccc(C(N)=S)c1=O
InChIInChI=1S/C17H28N2OS/c1-3-4-5-6-7-8-9-10-13-19-14(2)11-12-15(16(18)21)17(19)20/h11-12H,3-10,13H2,1-2H3,(H2,18,21)
InChIKeyPEXCUQMWITVNJS-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.93
Rot. Bonds10

About 1-decyl-6-methyl-2-oxopyridine-3-carbothioamide

1-decyl-6-methyl-2-oxopyridine-3-carbothioamide (PubChem CID 107073368) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 1-decyl-6-methyl-2-oxopyridine-3-carbothioamide.

Molecular Properties

Compound Name1-decyl-6-methyl-2-oxopyridine-3-carbothioamide
PubChem CID107073368
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name1-decyl-6-methyl-2-oxopyridine-3-carbothioamide
SMILESCCCCCCCCCCn1c(C)ccc(C(N)=S)c1=O
InChIInChI=1S/C17H28N2OS/c1-3-4-5-6-7-8-9-10-13-19-14(2)11-12-15(16(18)21)17(19)20/h11-12H,3-10,13H2,1-2H3,(H2,18,21)
InChIKeyPEXCUQMWITVNJS-UHFFFAOYSA-N
XLogP3.93
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.93
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

6-methyl-1-nonyl-2-oxopyridine-3-carbothioamide
CID 107073273
3-acetyl-6-methyl-1-nonylpyridin-2-one
CID 82064801
6-methyl-2-oxo-1-(4-phenylbutyl)pyridine-3-carbothioamide
CID 107073266
butyl 2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)acetate
CID 107073384
1-(2-ethylbutyl)-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073462
2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide
CID 107073295
1-[2-(3-methoxypropoxy)ethyl]-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073334
1-decyl-2-oxopyridine-3-carbothioamide
CID 107017794
2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide
CID 107073408
2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N-ethyl-N-methylacetamide
CID 107073308
1-(3-hydroxy-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073396
2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 82522939

Frequently Asked Questions

What is the IUPAC name of 1-decyl-6-methyl-2-oxopyridine-3-carbothioamide?
The IUPAC name of 1-decyl-6-methyl-2-oxopyridine-3-carbothioamide (CID 107073368) is 1-decyl-6-methyl-2-oxopyridine-3-carbothioamide.
What is the SMILES notation for 1-decyl-6-methyl-2-oxopyridine-3-carbothioamide?
The canonical SMILES for 1-decyl-6-methyl-2-oxopyridine-3-carbothioamide is CCCCCCCCCCn1c(C)ccc(C(N)=S)c1=O.
What is the InChIKey of 1-decyl-6-methyl-2-oxopyridine-3-carbothioamide?
The InChIKey is PEXCUQMWITVNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-3-4-5-6-7-8-9-10-13-19-14(2)11-12-15(16(18)21)17(19)20/h11-12H,3-10,13H2,1-2H3,(H2,18,21).
What are the key properties of 1-decyl-6-methyl-2-oxopyridine-3-carbothioamide?
1-decyl-6-methyl-2-oxopyridine-3-carbothioamide has a molecular weight of 308.49 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-6-methyl-2-oxopyridine-3-carbothioamide is sourced from PubChem (CID 107073368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).