1-(5-cyclohexylsulfanylpentyl)piperidine-2,6-dione

C16H27NO2S — CID 21260159

IUPAC1-(5-cyclohexylsulfanylpentyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCCCCSC1CCCCC1
InChIInChI=1S/C16H27NO2S/c18-15-10-7-11-16(19)17(15)12-5-2-6-13-20-14-8-3-1-4-9-14/h14H,1-13H2
InChIKeyADWUBXKXLWTGJB-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.76
Rot. Bonds7

About 1-(5-cyclohexylsulfanylpentyl)piperidine-2,6-dione

1-(5-cyclohexylsulfanylpentyl)piperidine-2,6-dione (PubChem CID 21260159) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 1-(5-cyclohexylsulfanylpentyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(5-cyclohexylsulfanylpentyl)piperidine-2,6-dione
PubChem CID21260159
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name1-(5-cyclohexylsulfanylpentyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCCCCSC1CCCCC1
InChIInChI=1S/C16H27NO2S/c18-15-10-7-11-16(19)17(15)12-5-2-6-13-20-14-8-3-1-4-9-14/h14H,1-13H2
InChIKeyADWUBXKXLWTGJB-UHFFFAOYSA-N
XLogP3.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohexylsulfanyl-1-piperidin-1-ylethanone
CID 4144687
1-(3-Octadecylsulfanylpropyl)piperidine-2,6-dione
CID 18968675
1-(10-Octylsulfanyldecyl)piperidine-2,6-dione
CID 21259946
1-(3-Octadecan-3-ylsulfanylpropyl)piperidine-2,6-dione
CID 21259956
1-(2-Cyclohexylsulfanylethyl)piperidine-2,6-dione
CID 21260017
1-(2-Octadecan-2-ylsulfanylethyl)piperidine-2,6-dione
CID 21260025
1-(2-Dodecan-2-ylsulfanylethyl)piperidine-2,6-dione
CID 21260079
1-(5-Decan-5-ylsulfanylpentyl)piperidine-2,6-dione
CID 21260080
1-(10-Decylsulfanyldecyl)piperidine-2,6-dione
CID 21260102
1-(2-Decan-2-ylsulfanylethyl)piperidine-2,6-dione
CID 21260110
1-(3-Cyclohexylsulfanylpropyl)piperidine-2,6-dione
CID 21260123
1-(3-Decan-3-ylsulfanylpropyl)piperidine-2,6-dione
CID 21260128

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexylsulfanylpentyl)piperidine-2,6-dione?
The IUPAC name of 1-(5-cyclohexylsulfanylpentyl)piperidine-2,6-dione (CID 21260159) is 1-(5-cyclohexylsulfanylpentyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(5-cyclohexylsulfanylpentyl)piperidine-2,6-dione?
The canonical SMILES for 1-(5-cyclohexylsulfanylpentyl)piperidine-2,6-dione is O=C1CCCC(=O)N1CCCCCSC1CCCCC1.
What is the InChIKey of 1-(5-cyclohexylsulfanylpentyl)piperidine-2,6-dione?
The InChIKey is ADWUBXKXLWTGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c18-15-10-7-11-16(19)17(15)12-5-2-6-13-20-14-8-3-1-4-9-14/h14H,1-13H2.
What are the key properties of 1-(5-cyclohexylsulfanylpentyl)piperidine-2,6-dione?
1-(5-cyclohexylsulfanylpentyl)piperidine-2,6-dione has a molecular weight of 297.46 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexylsulfanylpentyl)piperidine-2,6-dione is sourced from PubChem (CID 21260159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).