8-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C24H35N7OS — CID 51360828

IUPAC8-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCSCCC(c1nnnn1C1CCCCC1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C24H35N7OS/c1-33-17-12-21(22-26-27-28-31(22)20-10-6-3-7-11-20)29-15-13-24(14-16-29)23(32)25-18-30(24)19-8-4-2-5-9-19/h2,4-5,8-9,20-21H,3,6-7,10-18H2,1H3,(H,25,32)
InChIKeyOHVHBIMIYFMZPY-UHFFFAOYSA-N
MW469.66 g/mol
LogP3.40
Rot. Bonds7

About 8-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 51360828) has the molecular formula C24H35N7OS and a molecular weight of 469.66 g/mol. Its IUPAC name is 8-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID51360828
Molecular FormulaC24H35N7OS
Molecular Weight469.66 g/mol
Exact Mass469.26
IUPAC Name8-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCSCCC(c1nnnn1C1CCCCC1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C24H35N7OS/c1-33-17-12-21(22-26-27-28-31(22)20-10-6-3-7-11-20)29-15-13-24(14-16-29)23(32)25-18-30(24)19-8-4-2-5-9-19/h2,4-5,8-9,20-21H,3,6-7,10-18H2,1H3,(H,25,32)
InChIKeyOHVHBIMIYFMZPY-UHFFFAOYSA-N
XLogP3.40
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.66
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 51360828) is 8-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is CSCCC(c1nnnn1C1CCCCC1)N1CCC2(CC1)C(=O)NCN2c1ccccc1.
What is the InChIKey of 8-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is OHVHBIMIYFMZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7OS/c1-33-17-12-21(22-26-27-28-31(22)20-10-6-3-7-11-20)29-15-13-24(14-16-29)23(32)25-18-30(24)19-8-4-2-5-9-19/h2,4-5,8-9,20-21H,3,6-7,10-18H2,1H3,(H,25,32).
What are the key properties of 8-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 469.66 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 51360828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).