1-(2-aminoethyl)-3-ethylsulfanylpyrrolidine-2,5-dione

C8H14N2O2S — CID 54511614

IUPAC1-(2-aminoethyl)-3-ethylsulfanylpyrrolidine-2,5-dione
SMILESCCSC1CC(=O)N(CCN)C1=O
InChIInChI=1S/C8H14N2O2S/c1-2-13-6-5-7(11)10(4-3-9)8(6)12/h6H,2-5,9H2,1H3
InChIKeyYJNPQYCQBDAPNR-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.17
Rot. Bonds4

About 1-(2-aminoethyl)-3-ethylsulfanylpyrrolidine-2,5-dione

1-(2-aminoethyl)-3-ethylsulfanylpyrrolidine-2,5-dione (PubChem CID 54511614) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-ethylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-ethylsulfanylpyrrolidine-2,5-dione
PubChem CID54511614
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name1-(2-aminoethyl)-3-ethylsulfanylpyrrolidine-2,5-dione
SMILESCCSC1CC(=O)N(CCN)C1=O
InChIInChI=1S/C8H14N2O2S/c1-2-13-6-5-7(11)10(4-3-9)8(6)12/h6H,2-5,9H2,1H3
InChIKeyYJNPQYCQBDAPNR-UHFFFAOYSA-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 1-(2-aminoethyl)-3-ethylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-aminoethyl)-3-ethylsulfanylpyrrolidine-2,5-dione (CID 54511614) is 1-(2-aminoethyl)-3-ethylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-aminoethyl)-3-ethylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-aminoethyl)-3-ethylsulfanylpyrrolidine-2,5-dione is CCSC1CC(=O)N(CCN)C1=O.
What is the InChIKey of 1-(2-aminoethyl)-3-ethylsulfanylpyrrolidine-2,5-dione?
The InChIKey is YJNPQYCQBDAPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-2-13-6-5-7(11)10(4-3-9)8(6)12/h6H,2-5,9H2,1H3.
What are the key properties of 1-(2-aminoethyl)-3-ethylsulfanylpyrrolidine-2,5-dione?
1-(2-aminoethyl)-3-ethylsulfanylpyrrolidine-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 1-(2-aminoethyl)-3-ethylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 54511614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).