7-thiophen-2-yl-5,7-diazaspiro[3.4]octane-6,8-dione

C10H10N2O2S — CID 16660102

IUPAC7-thiophen-2-yl-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CCC2)C(=O)N1c1cccs1
InChIInChI=1S/C10H10N2O2S/c13-8-10(4-2-5-10)11-9(14)12(8)7-3-1-6-15-7/h1,3,6H,2,4-5H2,(H,11,14)
InChIKeyJCAZTTIKQSRQLX-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.73
Rot. Bonds1

About 7-thiophen-2-yl-5,7-diazaspiro[3.4]octane-6,8-dione

7-thiophen-2-yl-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 16660102) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 7-thiophen-2-yl-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name7-thiophen-2-yl-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID16660102
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name7-thiophen-2-yl-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CCC2)C(=O)N1c1cccs1
InChIInChI=1S/C10H10N2O2S/c13-8-10(4-2-5-10)11-9(14)12(8)7-3-1-6-15-7/h1,3,6H,2,4-5H2,(H,11,14)
InChIKeyJCAZTTIKQSRQLX-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-thiophen-2-yl-5,7-diazaspiro[3.4]octane-6,8-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-thiophen-2-yl-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 7-thiophen-2-yl-5,7-diazaspiro[3.4]octane-6,8-dione (CID 16660102) is 7-thiophen-2-yl-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 7-thiophen-2-yl-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 7-thiophen-2-yl-5,7-diazaspiro[3.4]octane-6,8-dione is O=C1NC2(CCC2)C(=O)N1c1cccs1.
What is the InChIKey of 7-thiophen-2-yl-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is JCAZTTIKQSRQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c13-8-10(4-2-5-10)11-9(14)12(8)7-3-1-6-15-7/h1,3,6H,2,4-5H2,(H,11,14).
What are the key properties of 7-thiophen-2-yl-5,7-diazaspiro[3.4]octane-6,8-dione?
7-thiophen-2-yl-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 222.27 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiophen-2-yl-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 16660102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).