(3R)-1-ethyl-3-sulfanylpyrrolidine-2,5-dione

C6H9NO2S — CID 71710893

IUPAC(3R)-1-ethyl-3-sulfanylpyrrolidine-2,5-dione
SMILESCCN1C(=O)C[C@@H](S)C1=O
InChIInChI=1S/C6H9NO2S/c1-2-7-5(8)3-4(10)6(7)9/h4,10H,2-3H2,1H3/t4-/m1/s1
InChIKeyDCQFEQVIIGJWJZ-SCSAIBSYSA-N
MW159.21 g/mol
LogP0.06
Rot. Bonds1

About (3R)-1-ethyl-3-sulfanylpyrrolidine-2,5-dione

(3R)-1-ethyl-3-sulfanylpyrrolidine-2,5-dione (PubChem CID 71710893) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is (3R)-1-ethyl-3-sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-ethyl-3-sulfanylpyrrolidine-2,5-dione
PubChem CID71710893
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name(3R)-1-ethyl-3-sulfanylpyrrolidine-2,5-dione
SMILESCCN1C(=O)C[C@@H](S)C1=O
InChIInChI=1S/C6H9NO2S/c1-2-7-5(8)3-4(10)6(7)9/h4,10H,2-3H2,1H3/t4-/m1/s1
InChIKeyDCQFEQVIIGJWJZ-SCSAIBSYSA-N
XLogP0.06
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-3-sulfanylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-ethyl-3-sulfanylpyrrolidine-2,5-dione (CID 71710893) is (3R)-1-ethyl-3-sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-ethyl-3-sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-ethyl-3-sulfanylpyrrolidine-2,5-dione is CCN1C(=O)C[C@@H](S)C1=O.
What is the InChIKey of (3R)-1-ethyl-3-sulfanylpyrrolidine-2,5-dione?
The InChIKey is DCQFEQVIIGJWJZ-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-2-7-5(8)3-4(10)6(7)9/h4,10H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (3R)-1-ethyl-3-sulfanylpyrrolidine-2,5-dione?
(3R)-1-ethyl-3-sulfanylpyrrolidine-2,5-dione has a molecular weight of 159.21 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-3-sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 71710893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).