4-(ethyldisulfanyl)pyrrolidin-2-one

C6H11NOS2 — CID 167241170

IUPAC4-(ethyldisulfanyl)pyrrolidin-2-one
SMILESCCSSC1CNC(=O)C1
InChIInChI=1S/C6H11NOS2/c1-2-9-10-5-3-6(8)7-4-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyRYWFITTWCXGQLW-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.28
Rot. Bonds3

About 4-(ethyldisulfanyl)pyrrolidin-2-one

4-(ethyldisulfanyl)pyrrolidin-2-one (PubChem CID 167241170) has the molecular formula C6H11NOS2 and a molecular weight of 177.29 g/mol. Its IUPAC name is 4-(ethyldisulfanyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(ethyldisulfanyl)pyrrolidin-2-one
PubChem CID167241170
Molecular FormulaC6H11NOS2
Molecular Weight177.29 g/mol
Exact Mass177.03
IUPAC Name4-(ethyldisulfanyl)pyrrolidin-2-one
SMILESCCSSC1CNC(=O)C1
InChIInChI=1S/C6H11NOS2/c1-2-9-10-5-3-6(8)7-4-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyRYWFITTWCXGQLW-UHFFFAOYSA-N
XLogP1.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethylsulfanylpyrrolidin-2-one;methanol
CID 178028708
S-[(3S)-5-oxopyrrolidin-3-yl] ethanethioate
CID 10534964
4-hydroxypyrrolidin-2-one;propane
CID 169229949
4-ethylpyrrolidin-2-one;2-methylpropane;propane
CID 144516344
(5S)-5-ethylpiperazin-2-one
CID 93005355
(5R)-4,5-dimethylpiperidin-2-one
CID 55298895
CID 66603050
CID 66603050
(1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 51893383
(4R)-4-[(1S)-1-hydroxypropyl]pyrrolidin-2-one
CID 66713637
4-nonylpyrrolidin-2-one
CID 143116205
4-hexylpyrrolidin-2-one
CID 18921442
N-(5-oxopyrrolidin-3-yl)ethanesulfonamide
CID 105056076

Frequently Asked Questions

What is the IUPAC name of 4-(ethyldisulfanyl)pyrrolidin-2-one?
The IUPAC name of 4-(ethyldisulfanyl)pyrrolidin-2-one (CID 167241170) is 4-(ethyldisulfanyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(ethyldisulfanyl)pyrrolidin-2-one?
The canonical SMILES for 4-(ethyldisulfanyl)pyrrolidin-2-one is CCSSC1CNC(=O)C1.
What is the InChIKey of 4-(ethyldisulfanyl)pyrrolidin-2-one?
The InChIKey is RYWFITTWCXGQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS2/c1-2-9-10-5-3-6(8)7-4-5/h5H,2-4H2,1H3,(H,7,8).
What are the key properties of 4-(ethyldisulfanyl)pyrrolidin-2-one?
4-(ethyldisulfanyl)pyrrolidin-2-one has a molecular weight of 177.29 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethyldisulfanyl)pyrrolidin-2-one is sourced from PubChem (CID 167241170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).