2-[(1,5-dicyano-9-methyl-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide

C15H18N4O2S — CID 2881794

IUPAC2-[(1,5-dicyano-9-methyl-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide
SMILESCC1CCC2(CC1)C(C#N)=C(SCC(N)=O)NC(=O)C2C#N
InChIInChI=1S/C15H18N4O2S/c1-9-2-4-15(5-3-9)10(6-16)13(21)19-14(11(15)7-17)22-8-12(18)20/h9-10H,2-5,8H2,1H3,(H2,18,20)(H,19,21)
InChIKeyBYPQJRIUZDKOQN-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.41
Rot. Bonds3

About 2-[(1,5-dicyano-9-methyl-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide

2-[(1,5-dicyano-9-methyl-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide (PubChem CID 2881794) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[(1,5-dicyano-9-methyl-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(1,5-dicyano-9-methyl-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide
PubChem CID2881794
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-[(1,5-dicyano-9-methyl-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide
SMILESCC1CCC2(CC1)C(C#N)=C(SCC(N)=O)NC(=O)C2C#N
InChIInChI=1S/C15H18N4O2S/c1-9-2-4-15(5-3-9)10(6-16)13(21)19-14(11(15)7-17)22-8-12(18)20/h9-10H,2-5,8H2,1H3,(H2,18,20)(H,19,21)
InChIKeyBYPQJRIUZDKOQN-UHFFFAOYSA-N
XLogP1.41
TPSA119.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dicyano-9-methyl-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(1,5-dicyano-9-methyl-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide (CID 2881794) is 2-[(1,5-dicyano-9-methyl-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(1,5-dicyano-9-methyl-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(1,5-dicyano-9-methyl-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide is CC1CCC2(CC1)C(C#N)=C(SCC(N)=O)NC(=O)C2C#N.
What is the InChIKey of 2-[(1,5-dicyano-9-methyl-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide?
The InChIKey is BYPQJRIUZDKOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-9-2-4-15(5-3-9)10(6-16)13(21)19-14(11(15)7-17)22-8-12(18)20/h9-10H,2-5,8H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of 2-[(1,5-dicyano-9-methyl-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide?
2-[(1,5-dicyano-9-methyl-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide has a molecular weight of 318.40 g/mol, XLogP of 1.41, 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-9-methyl-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 2881794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).