1-hydroxy-5-sulfanylidenepyrrolidin-2-one

C4H5NO2S — CID 140625506

IUPAC1-hydroxy-5-sulfanylidenepyrrolidin-2-one
SMILESO=C1CCC(=S)N1O
InChIInChI=1S/C4H5NO2S/c6-3-1-2-4(8)5(3)7/h7H,1-2H2
InChIKeyCCMKPCBRNXKTKV-UHFFFAOYSA-N
MW131.16 g/mol
LogP0.33
Rot. Bonds

About 1-hydroxy-5-sulfanylidenepyrrolidin-2-one

1-hydroxy-5-sulfanylidenepyrrolidin-2-one (PubChem CID 140625506) has the molecular formula C4H5NO2S and a molecular weight of 131.16 g/mol. Its IUPAC name is 1-hydroxy-5-sulfanylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-hydroxy-5-sulfanylidenepyrrolidin-2-one
PubChem CID140625506
Molecular FormulaC4H5NO2S
Molecular Weight131.16 g/mol
Exact Mass131.00
IUPAC Name1-hydroxy-5-sulfanylidenepyrrolidin-2-one
SMILESO=C1CCC(=S)N1O
InChIInChI=1S/C4H5NO2S/c6-3-1-2-4(8)5(3)7/h7H,1-2H2
InChIKeyCCMKPCBRNXKTKV-UHFFFAOYSA-N
XLogP0.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-sulfanylidenepyrrolidin-2-one?
The IUPAC name of 1-hydroxy-5-sulfanylidenepyrrolidin-2-one (CID 140625506) is 1-hydroxy-5-sulfanylidenepyrrolidin-2-one.
What is the SMILES notation for 1-hydroxy-5-sulfanylidenepyrrolidin-2-one?
The canonical SMILES for 1-hydroxy-5-sulfanylidenepyrrolidin-2-one is O=C1CCC(=S)N1O.
What is the InChIKey of 1-hydroxy-5-sulfanylidenepyrrolidin-2-one?
The InChIKey is CCMKPCBRNXKTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2S/c6-3-1-2-4(8)5(3)7/h7H,1-2H2.
What are the key properties of 1-hydroxy-5-sulfanylidenepyrrolidin-2-one?
1-hydroxy-5-sulfanylidenepyrrolidin-2-one has a molecular weight of 131.16 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-sulfanylidenepyrrolidin-2-one is sourced from PubChem (CID 140625506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).