5-(1-ethylimidazol-4-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione

C12H15N3O5S — CID 115917728

IUPAC5-(1-ethylimidazol-4-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
SMILESCCn1cnc(S(=O)(=O)N2CCC3C(=O)OC(=O)C3C2)c1
InChIInChI=1S/C12H15N3O5S/c1-2-14-6-10(13-7-14)21(18,19)15-4-3-8-9(5-15)12(17)20-11(8)16/h6-9H,2-5H2,1H3
InChIKeySODWGFVTIRCFMD-UHFFFAOYSA-N
MW313.34 g/mol
LogP-0.39
Rot. Bonds3

About 5-(1-ethylimidazol-4-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione

5-(1-ethylimidazol-4-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione (PubChem CID 115917728) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is 5-(1-ethylimidazol-4-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name5-(1-ethylimidazol-4-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
PubChem CID115917728
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name5-(1-ethylimidazol-4-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
SMILESCCn1cnc(S(=O)(=O)N2CCC3C(=O)OC(=O)C3C2)c1
InChIInChI=1S/C12H15N3O5S/c1-2-14-6-10(13-7-14)21(18,19)15-4-3-8-9(5-15)12(17)20-11(8)16/h6-9H,2-5H2,1H3
InChIKeySODWGFVTIRCFMD-UHFFFAOYSA-N
XLogP-0.39
TPSA98.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-(1-ethylimidazol-4-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 79373473
(3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 97048201
2-[1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]ethanamine
CID 114802284
1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959743
4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid
CID 79372670
1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carbonitrile
CID 79373816
N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
CID 79369875
N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-2-amine
CID 79369882
1-(1-ethylimidazol-4-yl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 79373841
methyl (3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 79476978
1-(1-ethylimidazol-4-yl)sulfonyl-3-pyrrolidin-2-ylpiperidine
CID 79369669
methyl 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylate
CID 79472731

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylimidazol-4-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 5-(1-ethylimidazol-4-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione (CID 115917728) is 5-(1-ethylimidazol-4-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 5-(1-ethylimidazol-4-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 5-(1-ethylimidazol-4-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione is CCn1cnc(S(=O)(=O)N2CCC3C(=O)OC(=O)C3C2)c1.
What is the InChIKey of 5-(1-ethylimidazol-4-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione?
The InChIKey is SODWGFVTIRCFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c1-2-14-6-10(13-7-14)21(18,19)15-4-3-8-9(5-15)12(17)20-11(8)16/h6-9H,2-5H2,1H3.
What are the key properties of 5-(1-ethylimidazol-4-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione?
5-(1-ethylimidazol-4-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione has a molecular weight of 313.34 g/mol, XLogP of -0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylimidazol-4-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 115917728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).