N-(3-pyridin-4-ylsulfanylpropyl)decanamide

C18H30N2OS — CID 15295248

IUPACN-(3-pyridin-4-ylsulfanylpropyl)decanamide
SMILESCCCCCCCCCC(=O)NCCCSc1ccncc1
InChIInChI=1S/C18H30N2OS/c1-2-3-4-5-6-7-8-10-18(21)20-13-9-16-22-17-11-14-19-15-12-17/h11-12,14-15H,2-10,13,16H2,1H3,(H,20,21)
InChIKeyWWUCUUVXBDKUAO-UHFFFAOYSA-N
MW322.52 g/mol
LogP4.82
Rot. Bonds13

About N-(3-pyridin-4-ylsulfanylpropyl)decanamide

N-(3-pyridin-4-ylsulfanylpropyl)decanamide (PubChem CID 15295248) has the molecular formula C18H30N2OS and a molecular weight of 322.52 g/mol. Its IUPAC name is N-(3-pyridin-4-ylsulfanylpropyl)decanamide.

Molecular Properties

Compound NameN-(3-pyridin-4-ylsulfanylpropyl)decanamide
PubChem CID15295248
Molecular FormulaC18H30N2OS
Molecular Weight322.52 g/mol
Exact Mass322.21
IUPAC NameN-(3-pyridin-4-ylsulfanylpropyl)decanamide
SMILESCCCCCCCCCC(=O)NCCCSc1ccncc1
InChIInChI=1S/C18H30N2OS/c1-2-3-4-5-6-7-8-10-18(21)20-13-9-16-22-17-11-14-19-15-12-17/h11-12,14-15H,2-10,13,16H2,1H3,(H,20,21)
InChIKeyWWUCUUVXBDKUAO-UHFFFAOYSA-N
XLogP4.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-pyridin-4-ylsulfanylpentyl)decanamide
CID 15295254
N-(4-pyridin-4-ylsulfanylbutyl)propanamide;dihydrochloride
CID 19079083
N-(2-pyridin-4-ylethyl)tetradecanamide
CID 101347310
4-octadecylsulfanylpyridine
CID 177449547
N-(4-pyridin-4-ylsulfanylbutyl)octan-1-amine
CID 19079129
2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide
CID 15295262
N-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide
CID 67740105
N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
11-[[2-(decanoylamino)acetyl]amino]-N-(pyridin-4-ylmethyl)undecanamide
CID 71069950
6-[(2-pyridin-4-ylsulfanylacetyl)amino]hexanoic acid
CID 43352943
methyl 6-[(2-pyridin-4-ylsulfanylacetyl)amino]hexanoate
CID 43404633
N-pentylicosanamide
CID 139961886

Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-4-ylsulfanylpropyl)decanamide?
The IUPAC name of N-(3-pyridin-4-ylsulfanylpropyl)decanamide (CID 15295248) is N-(3-pyridin-4-ylsulfanylpropyl)decanamide.
What is the SMILES notation for N-(3-pyridin-4-ylsulfanylpropyl)decanamide?
The canonical SMILES for N-(3-pyridin-4-ylsulfanylpropyl)decanamide is CCCCCCCCCC(=O)NCCCSc1ccncc1.
What is the InChIKey of N-(3-pyridin-4-ylsulfanylpropyl)decanamide?
The InChIKey is WWUCUUVXBDKUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2OS/c1-2-3-4-5-6-7-8-10-18(21)20-13-9-16-22-17-11-14-19-15-12-17/h11-12,14-15H,2-10,13,16H2,1H3,(H,20,21).
What are the key properties of N-(3-pyridin-4-ylsulfanylpropyl)decanamide?
N-(3-pyridin-4-ylsulfanylpropyl)decanamide has a molecular weight of 322.52 g/mol, XLogP of 4.82, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-4-ylsulfanylpropyl)decanamide is sourced from PubChem (CID 15295248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).