1-cyclopropyl-3-(2-phenylsulfanylethylamino)pyrrolidine-2,5-dione

C15H18N2O2S — CID 60976656

IUPAC1-cyclopropyl-3-(2-phenylsulfanylethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCCSc2ccccc2)C(=O)N1C1CC1
InChIInChI=1S/C15H18N2O2S/c18-14-10-13(15(19)17(14)11-6-7-11)16-8-9-20-12-4-2-1-3-5-12/h1-5,11,13,16H,6-10H2
InChIKeySQEBMIJJJBBQNL-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.66
Rot. Bonds6

About 1-cyclopropyl-3-(2-phenylsulfanylethylamino)pyrrolidine-2,5-dione

1-cyclopropyl-3-(2-phenylsulfanylethylamino)pyrrolidine-2,5-dione (PubChem CID 60976656) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-phenylsulfanylethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-phenylsulfanylethylamino)pyrrolidine-2,5-dione
PubChem CID60976656
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-cyclopropyl-3-(2-phenylsulfanylethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCCSc2ccccc2)C(=O)N1C1CC1
InChIInChI=1S/C15H18N2O2S/c18-14-10-13(15(19)17(14)11-6-7-11)16-8-9-20-12-4-2-1-3-5-12/h1-5,11,13,16H,6-10H2
InChIKeySQEBMIJJJBBQNL-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-[2-(3-fluorophenyl)ethylamino]pyrrolidine-2,5-dione
CID 43636842
1-cyclopropyl-3-[2-(diethylamino)ethylamino]pyrrolidine-2,5-dione
CID 43636147
1-cyclopropyl-3-(2-methylsulfonylethylamino)pyrrolidine-2,5-dione
CID 54934783
3-[2-(5-chlorothiophen-2-yl)ethylamino]-1-cyclopropylpyrrolidine-2,5-dione
CID 106044348
1-cyclopropyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 43636591
1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrrolidine-2,5-dione
CID 115517814
3-anilino-1-cycloheptylpyrrolidine-2,5-dione
CID 43637260
1-cyclopropyl-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 80683011
3-(butylamino)-1-cycloheptylpyrrolidine-2,5-dione
CID 43637456
1-cyclopentyl-3-(2-propan-2-yloxyethylamino)pyrrolidine-2,5-dione
CID 104759895
1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine
CID 60664696
N-(2-phenylsulfanylethyl)pyrrolidin-3-amine
CID 79730811

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-phenylsulfanylethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopropyl-3-(2-phenylsulfanylethylamino)pyrrolidine-2,5-dione (CID 60976656) is 1-cyclopropyl-3-(2-phenylsulfanylethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopropyl-3-(2-phenylsulfanylethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopropyl-3-(2-phenylsulfanylethylamino)pyrrolidine-2,5-dione is O=C1CC(NCCSc2ccccc2)C(=O)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-phenylsulfanylethylamino)pyrrolidine-2,5-dione?
The InChIKey is SQEBMIJJJBBQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-14-10-13(15(19)17(14)11-6-7-11)16-8-9-20-12-4-2-1-3-5-12/h1-5,11,13,16H,6-10H2.
What are the key properties of 1-cyclopropyl-3-(2-phenylsulfanylethylamino)pyrrolidine-2,5-dione?
1-cyclopropyl-3-(2-phenylsulfanylethylamino)pyrrolidine-2,5-dione has a molecular weight of 290.39 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-phenylsulfanylethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 60976656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).