(3S)-1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione

C6H10N2O2S — CID 154815633

IUPAC(3S)-1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione
SMILESNCCN1C(=O)C[C@H](S)C1=O
InChIInChI=1S/C6H10N2O2S/c7-1-2-8-5(9)3-4(11)6(8)10/h4,11H,1-3,7H2/t4-/m0/s1
InChIKeyULYJQLLKZQDRRN-BYPYZUCNSA-N
MW174.22 g/mol
LogP-1.00
Rot. Bonds2

About (3S)-1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione

(3S)-1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione (PubChem CID 154815633) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is (3S)-1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione
PubChem CID154815633
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name(3S)-1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione
SMILESNCCN1C(=O)C[C@H](S)C1=O
InChIInChI=1S/C6H10N2O2S/c7-1-2-8-5(9)3-4(11)6(8)10/h4,11H,1-3,7H2/t4-/m0/s1
InChIKeyULYJQLLKZQDRRN-BYPYZUCNSA-N
XLogP-1.00
TPSA63.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione (CID 154815633) is (3S)-1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione is NCCN1C(=O)C[C@H](S)C1=O.
What is the InChIKey of (3S)-1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione?
The InChIKey is ULYJQLLKZQDRRN-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N2O2S/c7-1-2-8-5(9)3-4(11)6(8)10/h4,11H,1-3,7H2/t4-/m0/s1.
What are the key properties of (3S)-1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione?
(3S)-1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione has a molecular weight of 174.22 g/mol, XLogP of -1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 154815633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).