N-butyl-2-pyridin-2-ylsulfanylpentanamide

C14H22N2OS — CID 14921565

IUPACN-butyl-2-pyridin-2-ylsulfanylpentanamide
SMILESCCCCNC(=O)C(CCC)Sc1ccccn1
InChIInChI=1S/C14H22N2OS/c1-3-5-10-16-14(17)12(8-4-2)18-13-9-6-7-11-15-13/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,16,17)
InChIKeyBHOKHEJLFGIPCT-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.26
Rot. Bonds8

About N-butyl-2-pyridin-2-ylsulfanylpentanamide

N-butyl-2-pyridin-2-ylsulfanylpentanamide (PubChem CID 14921565) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-butyl-2-pyridin-2-ylsulfanylpentanamide.

Molecular Properties

Compound NameN-butyl-2-pyridin-2-ylsulfanylpentanamide
PubChem CID14921565
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-butyl-2-pyridin-2-ylsulfanylpentanamide
SMILESCCCCNC(=O)C(CCC)Sc1ccccn1
InChIInChI=1S/C14H22N2OS/c1-3-5-10-16-14(17)12(8-4-2)18-13-9-6-7-11-15-13/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,16,17)
InChIKeyBHOKHEJLFGIPCT-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-2-pyridin-2-ylsulfanylpentanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-pyridin-2-ylsulfanylpentanamide;hydrochloride
CID 21127939
2-pyridin-2-ylsulfanylbutanamide
CID 21127936
2-(pyridin-2-yldisulfanyl)pentanoic acid
CID 87433027
2-pyridin-2-ylsulfanyl-N-tetradecylacetamide
CID 2802554
N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide
CID 46810322
N-(1-anilinopentyl)-3-methyl-2-pyridin-2-ylsulfanylbutanamide
CID 88847352
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyridin-2-ylethyl)pentanamide
CID 42739444
(2R)-N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylbutanamide
CID 795640
2-(1-phenylbutylsulfanyl)pyridine
CID 22764663
(2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide
CID 97251469
(2R)-N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylbutanamide
CID 949421
5-phenyl-2-pyridin-2-ylsulfanylpentanamide
CID 11119704

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-pyridin-2-ylsulfanylpentanamide?
The IUPAC name of N-butyl-2-pyridin-2-ylsulfanylpentanamide (CID 14921565) is N-butyl-2-pyridin-2-ylsulfanylpentanamide.
What is the SMILES notation for N-butyl-2-pyridin-2-ylsulfanylpentanamide?
The canonical SMILES for N-butyl-2-pyridin-2-ylsulfanylpentanamide is CCCCNC(=O)C(CCC)Sc1ccccn1.
What is the InChIKey of N-butyl-2-pyridin-2-ylsulfanylpentanamide?
The InChIKey is BHOKHEJLFGIPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-5-10-16-14(17)12(8-4-2)18-13-9-6-7-11-15-13/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,16,17).
What are the key properties of N-butyl-2-pyridin-2-ylsulfanylpentanamide?
N-butyl-2-pyridin-2-ylsulfanylpentanamide has a molecular weight of 266.41 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-pyridin-2-ylsulfanylpentanamide is sourced from PubChem (CID 14921565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).