5-hydroxy-1-propyl-3-sulfanylpyrrolidin-2-one

C7H13NO2S — CID 138599235

IUPAC5-hydroxy-1-propyl-3-sulfanylpyrrolidin-2-one
SMILESCCCN1C(=O)C(S)CC1O
InChIInChI=1S/C7H13NO2S/c1-2-3-8-6(9)4-5(11)7(8)10/h5-6,9,11H,2-4H2,1H3
InChIKeyICSWYNPWXKKIPV-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.25
Rot. Bonds2

About 5-hydroxy-1-propyl-3-sulfanylpyrrolidin-2-one

5-hydroxy-1-propyl-3-sulfanylpyrrolidin-2-one (PubChem CID 138599235) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 5-hydroxy-1-propyl-3-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-propyl-3-sulfanylpyrrolidin-2-one
PubChem CID138599235
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name5-hydroxy-1-propyl-3-sulfanylpyrrolidin-2-one
SMILESCCCN1C(=O)C(S)CC1O
InChIInChI=1S/C7H13NO2S/c1-2-3-8-6(9)4-5(11)7(8)10/h5-6,9,11H,2-4H2,1H3
InChIKeyICSWYNPWXKKIPV-UHFFFAOYSA-N
XLogP0.25
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-propyl-3-sulfanylpyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-propyl-3-sulfanylpyrrolidin-2-one (CID 138599235) is 5-hydroxy-1-propyl-3-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-propyl-3-sulfanylpyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-propyl-3-sulfanylpyrrolidin-2-one is CCCN1C(=O)C(S)CC1O.
What is the InChIKey of 5-hydroxy-1-propyl-3-sulfanylpyrrolidin-2-one?
The InChIKey is ICSWYNPWXKKIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-2-3-8-6(9)4-5(11)7(8)10/h5-6,9,11H,2-4H2,1H3.
What are the key properties of 5-hydroxy-1-propyl-3-sulfanylpyrrolidin-2-one?
5-hydroxy-1-propyl-3-sulfanylpyrrolidin-2-one has a molecular weight of 175.25 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-propyl-3-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 138599235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).