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

C15H20N2S — CID 3766921

IUPAC8-ethyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene
SMILESCCC1CCC2(CC1)NN=C(c1ccccc1)S2
InChIInChI=1S/C15H20N2S/c1-2-12-8-10-15(11-9-12)17-16-14(18-15)13-6-4-3-5-7-13/h3-7,12,17H,2,8-11H2,1H3
InChIKeyIFAHUQQWPULLPT-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.98
Rot. Bonds2

About 8-ethyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene

8-ethyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene (PubChem CID 3766921) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 8-ethyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8-ethyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene
PubChem CID3766921
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name8-ethyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene
SMILESCCC1CCC2(CC1)NN=C(c1ccccc1)S2
InChIInChI=1S/C15H20N2S/c1-2-12-8-10-15(11-9-12)17-16-14(18-15)13-6-4-3-5-7-13/h3-7,12,17H,2,8-11H2,1H3
InChIKeyIFAHUQQWPULLPT-UHFFFAOYSA-N
XLogP3.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 8-ethyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene (CID 3766921) is 8-ethyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8-ethyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 8-ethyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene is CCC1CCC2(CC1)NN=C(c1ccccc1)S2.
What is the InChIKey of 8-ethyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene?
The InChIKey is IFAHUQQWPULLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-2-12-8-10-15(11-9-12)17-16-14(18-15)13-6-4-3-5-7-13/h3-7,12,17H,2,8-11H2,1H3.
What are the key properties of 8-ethyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene?
8-ethyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene has a molecular weight of 260.41 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 3766921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).