ethane;N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)acetamide

C11H24N2O2S — CID 157037179

IUPACethane;N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)acetamide
SMILESCC.CC.CC(=O)N=S1(=O)CC2(CNC2)C1
InChIInChI=1S/C7H12N2O2S.2C2H6/c1-6(10)9-12(11)4-7(5-12)2-8-3-7;2*1-2/h8H,2-5H2,1H3;2*1-2H3
InChIKeyITDTVVMOCBYJKS-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.66
Rot. Bonds

About ethane;N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)acetamide

ethane;N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)acetamide (PubChem CID 157037179) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is ethane;N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)acetamide.

Molecular Properties

Compound Nameethane;N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)acetamide
PubChem CID157037179
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Nameethane;N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)acetamide
SMILESCC.CC.CC(=O)N=S1(=O)CC2(CNC2)C1
InChIInChI=1S/C7H12N2O2S.2C2H6/c1-6(10)9-12(11)4-7(5-12)2-8-3-7;2*1-2/h8H,2-5H2,1H3;2*1-2H3
InChIKeyITDTVVMOCBYJKS-UHFFFAOYSA-N
XLogP1.66
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)acetamide 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 ethane;N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)acetamide?
The IUPAC name of ethane;N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)acetamide (CID 157037179) is ethane;N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)acetamide.
What is the SMILES notation for ethane;N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)acetamide?
The canonical SMILES for ethane;N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)acetamide is CC.CC.CC(=O)N=S1(=O)CC2(CNC2)C1.
What is the InChIKey of ethane;N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)acetamide?
The InChIKey is ITDTVVMOCBYJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S.2C2H6/c1-6(10)9-12(11)4-7(5-12)2-8-3-7;2*1-2/h8H,2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)acetamide?
ethane;N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)acetamide has a molecular weight of 248.39 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)acetamide is sourced from PubChem (CID 157037179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).