1-(3-cyclohexylsulfanylpropyl)piperidine-2,6-dione

C14H23NO2S — CID 21260123

IUPAC1-(3-cyclohexylsulfanylpropyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCCSC1CCCCC1
InChIInChI=1S/C14H23NO2S/c16-13-8-4-9-14(17)15(13)10-5-11-18-12-6-2-1-3-7-12/h12H,1-11H2
InChIKeyMJJYGCIOMBXJNI-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.98
Rot. Bonds5

About 1-(3-cyclohexylsulfanylpropyl)piperidine-2,6-dione

1-(3-cyclohexylsulfanylpropyl)piperidine-2,6-dione (PubChem CID 21260123) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(3-cyclohexylsulfanylpropyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(3-cyclohexylsulfanylpropyl)piperidine-2,6-dione
PubChem CID21260123
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-(3-cyclohexylsulfanylpropyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCCSC1CCCCC1
InChIInChI=1S/C14H23NO2S/c16-13-8-4-9-14(17)15(13)10-5-11-18-12-6-2-1-3-7-12/h12H,1-11H2
InChIKeyMJJYGCIOMBXJNI-UHFFFAOYSA-N
XLogP2.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.98
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-Decan-3-ylsulfanylpropyl)piperidine-2,6-dione
CID 21260128
1-(5-Cyclohexylsulfanylpentyl)piperidine-2,6-dione
CID 21260159

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylsulfanylpropyl)piperidine-2,6-dione?
The IUPAC name of 1-(3-cyclohexylsulfanylpropyl)piperidine-2,6-dione (CID 21260123) is 1-(3-cyclohexylsulfanylpropyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(3-cyclohexylsulfanylpropyl)piperidine-2,6-dione?
The canonical SMILES for 1-(3-cyclohexylsulfanylpropyl)piperidine-2,6-dione is O=C1CCCC(=O)N1CCCSC1CCCCC1.
What is the InChIKey of 1-(3-cyclohexylsulfanylpropyl)piperidine-2,6-dione?
The InChIKey is MJJYGCIOMBXJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c16-13-8-4-9-14(17)15(13)10-5-11-18-12-6-2-1-3-7-12/h12H,1-11H2.
What are the key properties of 1-(3-cyclohexylsulfanylpropyl)piperidine-2,6-dione?
1-(3-cyclohexylsulfanylpropyl)piperidine-2,6-dione has a molecular weight of 269.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylsulfanylpropyl)piperidine-2,6-dione is sourced from PubChem (CID 21260123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).