phenyl-(2-phenyl-3-sulfanylidene-1,4-diazaspiro[4.4]non-1-en-4-yl)methanone

C20H18N2OS — CID 6621482

IUPACphenyl-(2-phenyl-3-sulfanylidene-1,4-diazaspiro[4.4]non-1-en-4-yl)methanone
SMILESO=C(c1ccccc1)N1C(=S)C(c2ccccc2)=NC12CCCC2
InChIInChI=1S/C20H18N2OS/c23-18(16-11-5-2-6-12-16)22-19(24)17(15-9-3-1-4-10-15)21-20(22)13-7-8-14-20/h1-6,9-12H,7-8,13-14H2
InChIKeyZCTGNMCCXLYYCL-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.23
Rot. Bonds2

About phenyl-(2-phenyl-3-sulfanylidene-1,4-diazaspiro[4.4]non-1-en-4-yl)methanone

phenyl-(2-phenyl-3-sulfanylidene-1,4-diazaspiro[4.4]non-1-en-4-yl)methanone (PubChem CID 6621482) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is phenyl-(2-phenyl-3-sulfanylidene-1,4-diazaspiro[4.4]non-1-en-4-yl)methanone.

Molecular Properties

Compound Namephenyl-(2-phenyl-3-sulfanylidene-1,4-diazaspiro[4.4]non-1-en-4-yl)methanone
PubChem CID6621482
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Namephenyl-(2-phenyl-3-sulfanylidene-1,4-diazaspiro[4.4]non-1-en-4-yl)methanone
SMILESO=C(c1ccccc1)N1C(=S)C(c2ccccc2)=NC12CCCC2
InChIInChI=1S/C20H18N2OS/c23-18(16-11-5-2-6-12-16)22-19(24)17(15-9-3-1-4-10-15)21-20(22)13-7-8-14-20/h1-6,9-12H,7-8,13-14H2
InChIKeyZCTGNMCCXLYYCL-UHFFFAOYSA-N
XLogP4.23
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl-(2-phenyl-3-sulfanylidene-1,4-diazaspiro[4.4]non-1-en-4-yl)methanone?
The IUPAC name of phenyl-(2-phenyl-3-sulfanylidene-1,4-diazaspiro[4.4]non-1-en-4-yl)methanone (CID 6621482) is phenyl-(2-phenyl-3-sulfanylidene-1,4-diazaspiro[4.4]non-1-en-4-yl)methanone.
What is the SMILES notation for phenyl-(2-phenyl-3-sulfanylidene-1,4-diazaspiro[4.4]non-1-en-4-yl)methanone?
The canonical SMILES for phenyl-(2-phenyl-3-sulfanylidene-1,4-diazaspiro[4.4]non-1-en-4-yl)methanone is O=C(c1ccccc1)N1C(=S)C(c2ccccc2)=NC12CCCC2.
What is the InChIKey of phenyl-(2-phenyl-3-sulfanylidene-1,4-diazaspiro[4.4]non-1-en-4-yl)methanone?
The InChIKey is ZCTGNMCCXLYYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c23-18(16-11-5-2-6-12-16)22-19(24)17(15-9-3-1-4-10-15)21-20(22)13-7-8-14-20/h1-6,9-12H,7-8,13-14H2.
What are the key properties of phenyl-(2-phenyl-3-sulfanylidene-1,4-diazaspiro[4.4]non-1-en-4-yl)methanone?
phenyl-(2-phenyl-3-sulfanylidene-1,4-diazaspiro[4.4]non-1-en-4-yl)methanone has a molecular weight of 334.44 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-phenyl-3-sulfanylidene-1,4-diazaspiro[4.4]non-1-en-4-yl)methanone is sourced from PubChem (CID 6621482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).