2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide

C10H14N2O2S — CID 61127702

IUPAC2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide
SMILESNC(=S)CN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C10H14N2O2S/c11-7(15)6-12-8(13)5-10(9(12)14)3-1-2-4-10/h1-6H2,(H2,11,15)
InChIKeyZCQMGJMNOBVINB-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.59
Rot. Bonds2

About 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide

2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide (PubChem CID 61127702) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide.

Molecular Properties

Compound Name2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide
PubChem CID61127702
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide
SMILESNC(=S)CN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C10H14N2O2S/c11-7(15)6-12-8(13)5-10(9(12)14)3-1-2-4-10/h1-6H2,(H2,11,15)
InChIKeyZCQMGJMNOBVINB-UHFFFAOYSA-N
XLogP0.59
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide 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

3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide
CID 46613463
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-propan-2-ylacetamide
CID 9378942
2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 62642472
2-(2-hydroxy-2-methylpropyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 63239102
2-[(E)-4-aminobut-2-enyl]-2-azaspiro[4.6]undecane-1,3-dione
CID 113414932
2-(2-amino-2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione
CID 113282808
2-(2,7-dioxoazepan-1-yl)ethanethioamide
CID 43447701
2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-dione
CID 64539399
2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 89315539
2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-methylpropanethioamide
CID 61121033
2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 107849640
2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]butanoic acid
CID 65221711

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide?
The IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide (CID 61127702) is 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide.
What is the SMILES notation for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide?
The canonical SMILES for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide is NC(=S)CN1C(=O)CC2(CCCC2)C1=O.
What is the InChIKey of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide?
The InChIKey is ZCQMGJMNOBVINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-7(15)6-12-8(13)5-10(9(12)14)3-1-2-4-10/h1-6H2,(H2,11,15).
What are the key properties of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide?
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide has a molecular weight of 226.30 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide is sourced from PubChem (CID 61127702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).