8-methyl-2-phenyl-1-thia-3,4,8-triazaspiro[4.5]dec-2-ene

C13H17N3S — CID 600499

IUPAC8-methyl-2-phenyl-1-thia-3,4,8-triazaspiro[4.5]dec-2-ene
SMILESCN1CCC2(CC1)NN=C(c1ccccc1)S2
InChIInChI=1S/C13H17N3S/c1-16-9-7-13(8-10-16)15-14-12(17-13)11-5-3-2-4-6-11/h2-6,15H,7-10H2,1H3
InChIKeyNYBLYUANWKRJFD-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.11
Rot. Bonds1

About 8-methyl-2-phenyl-1-thia-3,4,8-triazaspiro[4.5]dec-2-ene

8-methyl-2-phenyl-1-thia-3,4,8-triazaspiro[4.5]dec-2-ene (PubChem CID 600499) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 8-methyl-2-phenyl-1-thia-3,4,8-triazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8-methyl-2-phenyl-1-thia-3,4,8-triazaspiro[4.5]dec-2-ene
PubChem CID600499
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name8-methyl-2-phenyl-1-thia-3,4,8-triazaspiro[4.5]dec-2-ene
SMILESCN1CCC2(CC1)NN=C(c1ccccc1)S2
InChIInChI=1S/C13H17N3S/c1-16-9-7-13(8-10-16)15-14-12(17-13)11-5-3-2-4-6-11/h2-6,15H,7-10H2,1H3
InChIKeyNYBLYUANWKRJFD-UHFFFAOYSA-N
XLogP2.11
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-phenyl-1-thia-3,4,8-triazaspiro[4.5]dec-2-ene?
The IUPAC name of 8-methyl-2-phenyl-1-thia-3,4,8-triazaspiro[4.5]dec-2-ene (CID 600499) is 8-methyl-2-phenyl-1-thia-3,4,8-triazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8-methyl-2-phenyl-1-thia-3,4,8-triazaspiro[4.5]dec-2-ene?
The canonical SMILES for 8-methyl-2-phenyl-1-thia-3,4,8-triazaspiro[4.5]dec-2-ene is CN1CCC2(CC1)NN=C(c1ccccc1)S2.
What is the InChIKey of 8-methyl-2-phenyl-1-thia-3,4,8-triazaspiro[4.5]dec-2-ene?
The InChIKey is NYBLYUANWKRJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-16-9-7-13(8-10-16)15-14-12(17-13)11-5-3-2-4-6-11/h2-6,15H,7-10H2,1H3.
What are the key properties of 8-methyl-2-phenyl-1-thia-3,4,8-triazaspiro[4.5]dec-2-ene?
8-methyl-2-phenyl-1-thia-3,4,8-triazaspiro[4.5]dec-2-ene has a molecular weight of 247.37 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-phenyl-1-thia-3,4,8-triazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 600499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).