(3S)-1-[2-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethyl]-3-sulfanylpyrrolidine-2,5-dione

C10H12N2O4S2 — CID 53245656

IUPAC(3S)-1-[2-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethyl]-3-sulfanylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](S)C(=O)N1CCN1C(=O)C[C@H](S)C1=O
InChIInChI=1S/C10H12N2O4S2/c13-7-3-5(17)9(15)11(7)1-2-12-8(14)4-6(18)10(12)16/h5-6,17-18H,1-4H2/t5-,6+
InChIKeyLGNBDRSPICNZMC-OLQVQODUSA-N
MW288.35 g/mol
LogP-0.90
Rot. Bonds3

About (3S)-1-[2-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethyl]-3-sulfanylpyrrolidine-2,5-dione

(3S)-1-[2-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethyl]-3-sulfanylpyrrolidine-2,5-dione (PubChem CID 53245656) has the molecular formula C10H12N2O4S2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (3S)-1-[2-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethyl]-3-sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-[2-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethyl]-3-sulfanylpyrrolidine-2,5-dione
PubChem CID53245656
Molecular FormulaC10H12N2O4S2
Molecular Weight288.35 g/mol
Exact Mass288.02
IUPAC Name(3S)-1-[2-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethyl]-3-sulfanylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](S)C(=O)N1CCN1C(=O)C[C@H](S)C1=O
InChIInChI=1S/C10H12N2O4S2/c13-7-3-5(17)9(15)11(7)1-2-12-8(14)4-6(18)10(12)16/h5-6,17-18H,1-4H2/t5-,6+
InChIKeyLGNBDRSPICNZMC-OLQVQODUSA-N
XLogP-0.90
TPSA74.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (3S)-1-[2-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethyl]-3-sulfanylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-[2-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethyl]-3-sulfanylpyrrolidine-2,5-dione (CID 53245656) is (3S)-1-[2-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethyl]-3-sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-[2-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethyl]-3-sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-[2-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethyl]-3-sulfanylpyrrolidine-2,5-dione is O=C1C[C@@H](S)C(=O)N1CCN1C(=O)C[C@H](S)C1=O.
What is the InChIKey of (3S)-1-[2-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethyl]-3-sulfanylpyrrolidine-2,5-dione?
The InChIKey is LGNBDRSPICNZMC-OLQVQODUSA-N. The full InChI is InChI=1S/C10H12N2O4S2/c13-7-3-5(17)9(15)11(7)1-2-12-8(14)4-6(18)10(12)16/h5-6,17-18H,1-4H2/t5-,6+.
What are the key properties of (3S)-1-[2-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethyl]-3-sulfanylpyrrolidine-2,5-dione?
(3S)-1-[2-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethyl]-3-sulfanylpyrrolidine-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethyl]-3-sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 53245656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).