2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene

C13H16N2S — CID 3136572

IUPAC2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene
SMILESc1ccc(C2=NNC3(CCCCC3)S2)cc1
InChIInChI=1S/C13H16N2S/c1-3-7-11(8-4-1)12-14-15-13(16-12)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2
InChIKeyHFKPMQDIWZJRJD-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.35
Rot. Bonds1

About 2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene

2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene (PubChem CID 3136572) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene
PubChem CID3136572
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene
SMILESc1ccc(C2=NNC3(CCCCC3)S2)cc1
InChIInChI=1S/C13H16N2S/c1-3-7-11(8-4-1)12-14-15-13(16-12)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2
InChIKeyHFKPMQDIWZJRJD-UHFFFAOYSA-N
XLogP3.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene (CID 3136572) is 2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene is c1ccc(C2=NNC3(CCCCC3)S2)cc1.
What is the InChIKey of 2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene?
The InChIKey is HFKPMQDIWZJRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-3-7-11(8-4-1)12-14-15-13(16-12)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2.
What are the key properties of 2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene?
2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene has a molecular weight of 232.35 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 3136572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).