9-(2-amino-2-thiophen-2-ylacetyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione

C13H16N4O3S — CID 115287620

IUPAC9-(2-amino-2-thiophen-2-ylacetyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESNC(C(=O)N1CCCC2(C1)NC(=O)NC2=O)c1cccs1
InChIInChI=1S/C13H16N4O3S/c14-9(8-3-1-6-21-8)10(18)17-5-2-4-13(7-17)11(19)15-12(20)16-13/h1,3,6,9H,2,4-5,7,14H2,(H2,15,16,19,20)
InChIKeyHJWADRKRSUHTKV-UHFFFAOYSA-N
MW308.36 g/mol
LogP-0.05
Rot. Bonds2

About 9-(2-amino-2-thiophen-2-ylacetyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione

9-(2-amino-2-thiophen-2-ylacetyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione (PubChem CID 115287620) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 9-(2-amino-2-thiophen-2-ylacetyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name9-(2-amino-2-thiophen-2-ylacetyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
PubChem CID115287620
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name9-(2-amino-2-thiophen-2-ylacetyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESNC(C(=O)N1CCCC2(C1)NC(=O)NC2=O)c1cccs1
InChIInChI=1S/C13H16N4O3S/c14-9(8-3-1-6-21-8)10(18)17-5-2-4-13(7-17)11(19)15-12(20)16-13/h1,3,6,9H,2,4-5,7,14H2,(H2,15,16,19,20)
InChIKeyHJWADRKRSUHTKV-UHFFFAOYSA-N
XLogP-0.05
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-(2-amino-2-thiophen-2-ylacetyl)-1,3,9-triazaspiro[4.5]decane-2,4-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 9-(2-amino-2-thiophen-2-ylacetyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 9-(2-amino-2-thiophen-2-ylacetyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione (CID 115287620) is 9-(2-amino-2-thiophen-2-ylacetyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 9-(2-amino-2-thiophen-2-ylacetyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 9-(2-amino-2-thiophen-2-ylacetyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione is NC(C(=O)N1CCCC2(C1)NC(=O)NC2=O)c1cccs1.
What is the InChIKey of 9-(2-amino-2-thiophen-2-ylacetyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is HJWADRKRSUHTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c14-9(8-3-1-6-21-8)10(18)17-5-2-4-13(7-17)11(19)15-12(20)16-13/h1,3,6,9H,2,4-5,7,14H2,(H2,15,16,19,20).
What are the key properties of 9-(2-amino-2-thiophen-2-ylacetyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione?
9-(2-amino-2-thiophen-2-ylacetyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 308.36 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-amino-2-thiophen-2-ylacetyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 115287620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).