5-(4,4-diethylpiperidin-1-yl)pentanethioamide

C14H28N2S — CID 55166219

IUPAC5-(4,4-diethylpiperidin-1-yl)pentanethioamide
SMILESCCC1(CC)CCN(CCCCC(N)=S)CC1
InChIInChI=1S/C14H28N2S/c1-3-14(4-2)8-11-16(12-9-14)10-6-5-7-13(15)17/h3-12H2,1-2H3,(H2,15,17)
InChIKeyWCGUFDZMPMLPHY-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.35
Rot. Bonds7

About 5-(4,4-diethylpiperidin-1-yl)pentanethioamide

5-(4,4-diethylpiperidin-1-yl)pentanethioamide (PubChem CID 55166219) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 5-(4,4-diethylpiperidin-1-yl)pentanethioamide.

Molecular Properties

Compound Name5-(4,4-diethylpiperidin-1-yl)pentanethioamide
PubChem CID55166219
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name5-(4,4-diethylpiperidin-1-yl)pentanethioamide
SMILESCCC1(CC)CCN(CCCCC(N)=S)CC1
InChIInChI=1S/C14H28N2S/c1-3-14(4-2)8-11-16(12-9-14)10-6-5-7-13(15)17/h3-12H2,1-2H3,(H2,15,17)
InChIKeyWCGUFDZMPMLPHY-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-diethylpiperidin-1-yl)pentanethioamide?
The IUPAC name of 5-(4,4-diethylpiperidin-1-yl)pentanethioamide (CID 55166219) is 5-(4,4-diethylpiperidin-1-yl)pentanethioamide.
What is the SMILES notation for 5-(4,4-diethylpiperidin-1-yl)pentanethioamide?
The canonical SMILES for 5-(4,4-diethylpiperidin-1-yl)pentanethioamide is CCC1(CC)CCN(CCCCC(N)=S)CC1.
What is the InChIKey of 5-(4,4-diethylpiperidin-1-yl)pentanethioamide?
The InChIKey is WCGUFDZMPMLPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-3-14(4-2)8-11-16(12-9-14)10-6-5-7-13(15)17/h3-12H2,1-2H3,(H2,15,17).
What are the key properties of 5-(4,4-diethylpiperidin-1-yl)pentanethioamide?
5-(4,4-diethylpiperidin-1-yl)pentanethioamide has a molecular weight of 256.46 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-diethylpiperidin-1-yl)pentanethioamide is sourced from PubChem (CID 55166219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).