2-[(1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide

C14H16N4O2S — CID 2833684

IUPAC2-[(1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide
SMILESN#CC1=C(SCC(N)=O)NC(=O)C(C#N)C12CCCCC2
InChIInChI=1S/C14H16N4O2S/c15-6-9-12(20)18-13(21-8-11(17)19)10(7-16)14(9)4-2-1-3-5-14/h9H,1-5,8H2,(H2,17,19)(H,18,20)
InChIKeyMVKRKNBUOUPLBU-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.16
Rot. Bonds3

About 2-[(1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide

2-[(1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide (PubChem CID 2833684) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-[(1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide
PubChem CID2833684
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name2-[(1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide
SMILESN#CC1=C(SCC(N)=O)NC(=O)C(C#N)C12CCCCC2
InChIInChI=1S/C14H16N4O2S/c15-6-9-12(20)18-13(21-8-11(17)19)10(7-16)14(9)4-2-1-3-5-14/h9H,1-5,8H2,(H2,17,19)(H,18,20)
InChIKeyMVKRKNBUOUPLBU-UHFFFAOYSA-N
XLogP1.16
TPSA119.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]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 2-[(1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide (CID 2833684) is 2-[(1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide is N#CC1=C(SCC(N)=O)NC(=O)C(C#N)C12CCCCC2.
What is the InChIKey of 2-[(1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide?
The InChIKey is MVKRKNBUOUPLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c15-6-9-12(20)18-13(21-8-11(17)19)10(7-16)14(9)4-2-1-3-5-14/h9H,1-5,8H2,(H2,17,19)(H,18,20).
What are the key properties of 2-[(1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide?
2-[(1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide has a molecular weight of 304.38 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 2833684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).