(3R)-3-(2-aminoethylsulfanyl)-1-ethylpyrrolidine-2,5-dione

C8H14N2O2S — CID 98341231

IUPAC(3R)-3-(2-aminoethylsulfanyl)-1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)C[C@@H](SCCN)C1=O
InChIInChI=1S/C8H14N2O2S/c1-2-10-7(11)5-6(8(10)12)13-4-3-9/h6H,2-5,9H2,1H3/t6-/m1/s1
InChIKeyNMJUUGJXQKHGBK-ZCFIWIBFSA-N
MW202.28 g/mol
LogP-0.17
Rot. Bonds4

About (3R)-3-(2-aminoethylsulfanyl)-1-ethylpyrrolidine-2,5-dione

(3R)-3-(2-aminoethylsulfanyl)-1-ethylpyrrolidine-2,5-dione (PubChem CID 98341231) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is (3R)-3-(2-aminoethylsulfanyl)-1-ethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(2-aminoethylsulfanyl)-1-ethylpyrrolidine-2,5-dione
PubChem CID98341231
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name(3R)-3-(2-aminoethylsulfanyl)-1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)C[C@@H](SCCN)C1=O
InChIInChI=1S/C8H14N2O2S/c1-2-10-7(11)5-6(8(10)12)13-4-3-9/h6H,2-5,9H2,1H3/t6-/m1/s1
InChIKeyNMJUUGJXQKHGBK-ZCFIWIBFSA-N
XLogP-0.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-aminoethylsulfanyl)-1-ethylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(2-aminoethylsulfanyl)-1-ethylpyrrolidine-2,5-dione (CID 98341231) is (3R)-3-(2-aminoethylsulfanyl)-1-ethylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(2-aminoethylsulfanyl)-1-ethylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(2-aminoethylsulfanyl)-1-ethylpyrrolidine-2,5-dione is CCN1C(=O)C[C@@H](SCCN)C1=O.
What is the InChIKey of (3R)-3-(2-aminoethylsulfanyl)-1-ethylpyrrolidine-2,5-dione?
The InChIKey is NMJUUGJXQKHGBK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-2-10-7(11)5-6(8(10)12)13-4-3-9/h6H,2-5,9H2,1H3/t6-/m1/s1.
What are the key properties of (3R)-3-(2-aminoethylsulfanyl)-1-ethylpyrrolidine-2,5-dione?
(3R)-3-(2-aminoethylsulfanyl)-1-ethylpyrrolidine-2,5-dione has a molecular weight of 202.28 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-aminoethylsulfanyl)-1-ethylpyrrolidine-2,5-dione is sourced from PubChem (CID 98341231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).