1-(2-cyclohexylsulfanylethyl)piperidine-2,6-dione

C13H21NO2S — CID 21260017

IUPAC1-(2-cyclohexylsulfanylethyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCSC1CCCCC1
InChIInChI=1S/C13H21NO2S/c15-12-7-4-8-13(16)14(12)9-10-17-11-5-2-1-3-6-11/h11H,1-10H2
InChIKeyPISHAVHOGUSLKI-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.59
Rot. Bonds4

About 1-(2-cyclohexylsulfanylethyl)piperidine-2,6-dione

1-(2-cyclohexylsulfanylethyl)piperidine-2,6-dione (PubChem CID 21260017) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 1-(2-cyclohexylsulfanylethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(2-cyclohexylsulfanylethyl)piperidine-2,6-dione
PubChem CID21260017
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name1-(2-cyclohexylsulfanylethyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCSC1CCCCC1
InChIInChI=1S/C13H21NO2S/c15-12-7-4-8-13(16)14(12)9-10-17-11-5-2-1-3-6-11/h11H,1-10H2
InChIKeyPISHAVHOGUSLKI-UHFFFAOYSA-N
XLogP2.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-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
1-(5-Cyclohexylsulfanylpentyl)piperidine-2,6-dione
CID 21260159

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylsulfanylethyl)piperidine-2,6-dione?
The IUPAC name of 1-(2-cyclohexylsulfanylethyl)piperidine-2,6-dione (CID 21260017) is 1-(2-cyclohexylsulfanylethyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(2-cyclohexylsulfanylethyl)piperidine-2,6-dione?
The canonical SMILES for 1-(2-cyclohexylsulfanylethyl)piperidine-2,6-dione is O=C1CCCC(=O)N1CCSC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylsulfanylethyl)piperidine-2,6-dione?
The InChIKey is PISHAVHOGUSLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c15-12-7-4-8-13(16)14(12)9-10-17-11-5-2-1-3-6-11/h11H,1-10H2.
What are the key properties of 1-(2-cyclohexylsulfanylethyl)piperidine-2,6-dione?
1-(2-cyclohexylsulfanylethyl)piperidine-2,6-dione has a molecular weight of 255.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylsulfanylethyl)piperidine-2,6-dione is sourced from PubChem (CID 21260017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).