1-(4-methylsulfanylbutyl)piperidine-2,6-dione

C10H17NO2S — CID 139959322

IUPAC1-(4-methylsulfanylbutyl)piperidine-2,6-dione
SMILESCSCCCCN1C(=O)CCCC1=O
InChIInChI=1S/C10H17NO2S/c1-14-8-3-2-7-11-9(12)5-4-6-10(11)13/h2-8H2,1H3
InChIKeyKFDCHBKTBXVCOL-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.67
Rot. Bonds5

About 1-(4-methylsulfanylbutyl)piperidine-2,6-dione

1-(4-methylsulfanylbutyl)piperidine-2,6-dione (PubChem CID 139959322) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-(4-methylsulfanylbutyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(4-methylsulfanylbutyl)piperidine-2,6-dione
PubChem CID139959322
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name1-(4-methylsulfanylbutyl)piperidine-2,6-dione
SMILESCSCCCCN1C(=O)CCCC1=O
InChIInChI=1S/C10H17NO2S/c1-14-8-3-2-7-11-9(12)5-4-6-10(11)13/h2-8H2,1H3
InChIKeyKFDCHBKTBXVCOL-UHFFFAOYSA-N
XLogP1.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.67
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

N-glutarylcysteamine
CID 17977478
1-Methyl-3-methylsulfanylpiperidin-2-one
CID 12373167
S-tert-butyl 3-methyl-5-oxo-5-piperidin-1-ylpentanethioate
CID 12771725
S-tert-butyl (3R)-3-methyl-5-oxo-5-piperidin-1-ylpentanethioate
CID 12771726
1-(3-Sulfanylpropyl)piperidine-2,6-dione
CID 17977487
1-(2-Methylsulfanylethyl)piperidin-2-one
CID 18403426
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylbutyl)piperidine-2,6-dione?
The IUPAC name of 1-(4-methylsulfanylbutyl)piperidine-2,6-dione (CID 139959322) is 1-(4-methylsulfanylbutyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(4-methylsulfanylbutyl)piperidine-2,6-dione?
The canonical SMILES for 1-(4-methylsulfanylbutyl)piperidine-2,6-dione is CSCCCCN1C(=O)CCCC1=O.
What is the InChIKey of 1-(4-methylsulfanylbutyl)piperidine-2,6-dione?
The InChIKey is KFDCHBKTBXVCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-14-8-3-2-7-11-9(12)5-4-6-10(11)13/h2-8H2,1H3.
What are the key properties of 1-(4-methylsulfanylbutyl)piperidine-2,6-dione?
1-(4-methylsulfanylbutyl)piperidine-2,6-dione has a molecular weight of 215.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylbutyl)piperidine-2,6-dione is sourced from PubChem (CID 139959322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).