1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyrrolidine-2,5-dione

C14H20N2O3S — CID 134144943

IUPAC1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyrrolidine-2,5-dione
SMILESCN(C)Cc1ccc(CSCCN2C(=O)CCC2=O)o1
InChIInChI=1S/C14H20N2O3S/c1-15(2)9-11-3-4-12(19-11)10-20-8-7-16-13(17)5-6-14(16)18/h3-4H,5-10H2,1-2H3
InChIKeyBPGXGVFTAMAZHI-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.72
Rot. Bonds7

About 1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyrrolidine-2,5-dione

1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyrrolidine-2,5-dione (PubChem CID 134144943) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyrrolidine-2,5-dione
PubChem CID134144943
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyrrolidine-2,5-dione
SMILESCN(C)Cc1ccc(CSCCN2C(=O)CCC2=O)o1
InChIInChI=1S/C14H20N2O3S/c1-15(2)9-11-3-4-12(19-11)10-20-8-7-16-13(17)5-6-14(16)18/h3-4H,5-10H2,1-2H3
InChIKeyBPGXGVFTAMAZHI-UHFFFAOYSA-N
XLogP1.72
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyrrolidine-2,5-dione (CID 134144943) is 1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyrrolidine-2,5-dione is CN(C)Cc1ccc(CSCCN2C(=O)CCC2=O)o1.
What is the InChIKey of 1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is BPGXGVFTAMAZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-15(2)9-11-3-4-12(19-11)10-20-8-7-16-13(17)5-6-14(16)18/h3-4H,5-10H2,1-2H3.
What are the key properties of 1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyrrolidine-2,5-dione?
1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 296.39 g/mol, XLogP of 1.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 134144943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).