3-[2-(5-chlorothiophen-2-yl)ethylamino]-1-cyclopropylpyrrolidine-2,5-dione

C13H15ClN2O2S — CID 106044348

IUPAC3-[2-(5-chlorothiophen-2-yl)ethylamino]-1-cyclopropylpyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2ccc(Cl)s2)C(=O)N1C1CC1
InChIInChI=1S/C13H15ClN2O2S/c14-11-4-3-9(19-11)5-6-15-10-7-12(17)16(13(10)18)8-1-2-8/h3-4,8,10,15H,1-2,5-7H2
InChIKeyCKORDLFNLSWCQC-UHFFFAOYSA-N
MW298.80 g/mol
LogP1.82
Rot. Bonds5

About 3-[2-(5-chlorothiophen-2-yl)ethylamino]-1-cyclopropylpyrrolidine-2,5-dione

3-[2-(5-chlorothiophen-2-yl)ethylamino]-1-cyclopropylpyrrolidine-2,5-dione (PubChem CID 106044348) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.80 g/mol. Its IUPAC name is 3-[2-(5-chlorothiophen-2-yl)ethylamino]-1-cyclopropylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(5-chlorothiophen-2-yl)ethylamino]-1-cyclopropylpyrrolidine-2,5-dione
PubChem CID106044348
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.80 g/mol
Exact Mass298.05
IUPAC Name3-[2-(5-chlorothiophen-2-yl)ethylamino]-1-cyclopropylpyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2ccc(Cl)s2)C(=O)N1C1CC1
InChIInChI=1S/C13H15ClN2O2S/c14-11-4-3-9(19-11)5-6-15-10-7-12(17)16(13(10)18)8-1-2-8/h3-4,8,10,15H,1-2,5-7H2
InChIKeyCKORDLFNLSWCQC-UHFFFAOYSA-N
XLogP1.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 80683011
1-cyclopropyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 43636591
N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride
CID 115582706
3-[(4-bromophenyl)methylamino]-1-cyclopropylpyrrolidine-2,5-dione
CID 60779338
1-cyclopropyl-3-(2-phenylsulfanylethylamino)pyrrolidine-2,5-dione
CID 60976656
(3R)-3-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-1-cyclopropylpyrrolidine-2,5-dione
CID 35903117
1-cyclopropyl-3-[2-(diethylamino)ethylamino]pyrrolidine-2,5-dione
CID 43636147
1-cyclohexyl-3-[2-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-2,5-dione
CID 63242075
N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 106042378
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine
CID 103698612
1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrrolidine-2,5-dione
CID 115517814

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chlorothiophen-2-yl)ethylamino]-1-cyclopropylpyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(5-chlorothiophen-2-yl)ethylamino]-1-cyclopropylpyrrolidine-2,5-dione (CID 106044348) is 3-[2-(5-chlorothiophen-2-yl)ethylamino]-1-cyclopropylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(5-chlorothiophen-2-yl)ethylamino]-1-cyclopropylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(5-chlorothiophen-2-yl)ethylamino]-1-cyclopropylpyrrolidine-2,5-dione is O=C1CC(NCCc2ccc(Cl)s2)C(=O)N1C1CC1.
What is the InChIKey of 3-[2-(5-chlorothiophen-2-yl)ethylamino]-1-cyclopropylpyrrolidine-2,5-dione?
The InChIKey is CKORDLFNLSWCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c14-11-4-3-9(19-11)5-6-15-10-7-12(17)16(13(10)18)8-1-2-8/h3-4,8,10,15H,1-2,5-7H2.
What are the key properties of 3-[2-(5-chlorothiophen-2-yl)ethylamino]-1-cyclopropylpyrrolidine-2,5-dione?
3-[2-(5-chlorothiophen-2-yl)ethylamino]-1-cyclopropylpyrrolidine-2,5-dione has a molecular weight of 298.80 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chlorothiophen-2-yl)ethylamino]-1-cyclopropylpyrrolidine-2,5-dione is sourced from PubChem (CID 106044348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).