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

C14H19ClN2O2S — CID 61469465

IUPAC1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethylamino]pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NC(C)c2ccc(Cl)s2)C1=O
InChIInChI=1S/C14H19ClN2O2S/c1-4-8(2)17-13(18)7-10(14(17)19)16-9(3)11-5-6-12(15)20-11/h5-6,8-10,16H,4,7H2,1-3H3
InChIKeyVLFNRUHCOXFTLK-UHFFFAOYSA-N
MW314.84 g/mol
LogP2.98
Rot. Bonds5

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

1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethylamino]pyrrolidine-2,5-dione (PubChem CID 61469465) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethylamino]pyrrolidine-2,5-dione
PubChem CID61469465
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethylamino]pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NC(C)c2ccc(Cl)s2)C1=O
InChIInChI=1S/C14H19ClN2O2S/c1-4-8(2)17-13(18)7-10(14(17)19)16-9(3)11-5-6-12(15)20-11/h5-6,8-10,16H,4,7H2,1-3H3
InChIKeyVLFNRUHCOXFTLK-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 52.98
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

3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-methylpyrrolidine-2,5-dione
CID 54955058
1-butan-2-yl-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-2,5-dione
CID 61192882
1-butan-2-yl-3-(1-methylsulfanylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 113472748
1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 43638142
3-[1-(5-methylthiophen-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
CID 61473514
methyl 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]propanoate
CID 54960207
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-methylpropanamide
CID 54950819
1-butan-2-yl-3-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione
CID 107528066
3-[1-(5-chlorothiophen-2-yl)ethylamino]piperidin-2-one
CID 62093216
3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione
CID 60779664
1-butan-2-yl-3-(2,5-difluoroanilino)pyrrolidine-2,5-dione
CID 43638216
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine
CID 130718926

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethylamino]pyrrolidine-2,5-dione (CID 61469465) is 1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethylamino]pyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(NC(C)c2ccc(Cl)s2)C1=O.
What is the InChIKey of 1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is VLFNRUHCOXFTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c1-4-8(2)17-13(18)7-10(14(17)19)16-9(3)11-5-6-12(15)20-11/h5-6,8-10,16H,4,7H2,1-3H3.
What are the key properties of 1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethylamino]pyrrolidine-2,5-dione?
1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 314.84 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 61469465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).