1-cyclohexyl-2-sulfanylidenepyridine-3-carboxamide

C12H16N2OS — CID 146452052

IUPAC1-cyclohexyl-2-sulfanylidenepyridine-3-carboxamide
SMILESNC(=O)c1cccn(C2CCCCC2)c1=S
InChIInChI=1S/C12H16N2OS/c13-11(15)10-7-4-8-14(12(10)16)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H2,13,15)
InChIKeyYJSRQTYXPALUSV-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.82
Rot. Bonds2

About 1-cyclohexyl-2-sulfanylidenepyridine-3-carboxamide

1-cyclohexyl-2-sulfanylidenepyridine-3-carboxamide (PubChem CID 146452052) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-cyclohexyl-2-sulfanylidenepyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-2-sulfanylidenepyridine-3-carboxamide
PubChem CID146452052
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-cyclohexyl-2-sulfanylidenepyridine-3-carboxamide
SMILESNC(=O)c1cccn(C2CCCCC2)c1=S
InChIInChI=1S/C12H16N2OS/c13-11(15)10-7-4-8-14(12(10)16)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H2,13,15)
InChIKeyYJSRQTYXPALUSV-UHFFFAOYSA-N
XLogP2.82
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-2-sulfanylidenepyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-sulfanylidenepyridine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-2-sulfanylidenepyridine-3-carboxamide (CID 146452052) is 1-cyclohexyl-2-sulfanylidenepyridine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-2-sulfanylidenepyridine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-2-sulfanylidenepyridine-3-carboxamide is NC(=O)c1cccn(C2CCCCC2)c1=S.
What is the InChIKey of 1-cyclohexyl-2-sulfanylidenepyridine-3-carboxamide?
The InChIKey is YJSRQTYXPALUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c13-11(15)10-7-4-8-14(12(10)16)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H2,13,15).
What are the key properties of 1-cyclohexyl-2-sulfanylidenepyridine-3-carboxamide?
1-cyclohexyl-2-sulfanylidenepyridine-3-carboxamide has a molecular weight of 236.34 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-sulfanylidenepyridine-3-carboxamide is sourced from PubChem (CID 146452052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).