[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-[2,2-dimethylpropyl(dihydroxy)-λ4-sulfanyl]-2,6-diazaspiro[3.3]heptan-6-yl]methanone

C22H36N6O3S — CID 166083916

IUPAC[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-[2,2-dimethylpropyl(dihydroxy)-λ4-sulfanyl]-2,6-diazaspiro[3.3]heptan-6-yl]methanone
SMILESCC(C)(C)CS(O)(O)N1CC2(CN(C(=O)N3CC4(CC(n5cnc(C6CC6)n5)C4)C3)C2)C1
InChIInChI=1S/C22H36N6O3S/c1-20(2,3)14-32(30,31)27-12-22(13-27)10-26(11-22)19(29)25-8-21(9-25)6-17(7-21)28-15-23-18(24-28)16-4-5-16/h15-17,30-31H,4-14H2,1-3H3
InChIKeyYCYKPTGXVAIHTD-UHFFFAOYSA-N
MW464.64 g/mol
LogP3.24
Rot. Bonds4

About [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-[2,2-dimethylpropyl(dihydroxy)-λ4-sulfanyl]-2,6-diazaspiro[3.3]heptan-6-yl]methanone

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-[2,2-dimethylpropyl(dihydroxy)-λ4-sulfanyl]-2,6-diazaspiro[3.3]heptan-6-yl]methanone (PubChem CID 166083916) has the molecular formula C22H36N6O3S and a molecular weight of 464.64 g/mol. Its IUPAC name is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-[2,2-dimethylpropyl(dihydroxy)-λ4-sulfanyl]-2,6-diazaspiro[3.3]heptan-6-yl]methanone.

Molecular Properties

Compound Name[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-[2,2-dimethylpropyl(dihydroxy)-λ4-sulfanyl]-2,6-diazaspiro[3.3]heptan-6-yl]methanone
PubChem CID166083916
Molecular FormulaC22H36N6O3S
Molecular Weight464.64 g/mol
Exact Mass464.26
IUPAC Name[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-[2,2-dimethylpropyl(dihydroxy)-λ4-sulfanyl]-2,6-diazaspiro[3.3]heptan-6-yl]methanone
SMILESCC(C)(C)CS(O)(O)N1CC2(CN(C(=O)N3CC4(CC(n5cnc(C6CC6)n5)C4)C3)C2)C1
InChIInChI=1S/C22H36N6O3S/c1-20(2,3)14-32(30,31)27-12-22(13-27)10-26(11-22)19(29)25-8-21(9-25)6-17(7-21)28-15-23-18(24-28)16-4-5-16/h15-17,30-31H,4-14H2,1-3H3
InChIKeyYCYKPTGXVAIHTD-UHFFFAOYSA-N
XLogP3.24
TPSA97.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-[2,2-dimethylpropyl(dihydroxy)-λ4-sulfanyl]-2,6-diazaspiro[3.3]heptan-6-yl]methanone with MolForge

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Related Compounds

[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]sulfonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methanone
CID 170565597
[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(trifluoromethylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone
CID 170565790
[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(2,2,2-trifluoroethylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone
CID 170565906
[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(2,2-dimethylpropylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone
CID 170565616
Tert-butyl 6-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 170565658
[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(2,6-diazaspiro[3.3]heptan-2-yl)methanone
CID 170565709
N-[2-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-2,2-dimethylpropane-1-sulfonamide
CID 170565720
[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(1-methylcyclopropyl)sulfonyl-2,6-diazaspiro[3.3]heptan-6-yl]methanone
CID 170565732
[2-(Cyclohexylmethylsulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
CID 170565738
6-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-N,N-dimethyl-2,6-diazaspiro[3.3]heptane-2-sulfonamide
CID 170565799
[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(2-propylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)methanone
CID 170565828
[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-(1,1-dioxothietan-3-yl)sulfonyl-2,6-diazaspiro[3.3]heptan-6-yl]methanone
CID 170565832

Frequently Asked Questions

What is the IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-[2,2-dimethylpropyl(dihydroxy)-λ4-sulfanyl]-2,6-diazaspiro[3.3]heptan-6-yl]methanone?
The IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-[2,2-dimethylpropyl(dihydroxy)-λ4-sulfanyl]-2,6-diazaspiro[3.3]heptan-6-yl]methanone (CID 166083916) is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-[2,2-dimethylpropyl(dihydroxy)-λ4-sulfanyl]-2,6-diazaspiro[3.3]heptan-6-yl]methanone.
What is the SMILES notation for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-[2,2-dimethylpropyl(dihydroxy)-λ4-sulfanyl]-2,6-diazaspiro[3.3]heptan-6-yl]methanone?
The canonical SMILES for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-[2,2-dimethylpropyl(dihydroxy)-λ4-sulfanyl]-2,6-diazaspiro[3.3]heptan-6-yl]methanone is CC(C)(C)CS(O)(O)N1CC2(CN(C(=O)N3CC4(CC(n5cnc(C6CC6)n5)C4)C3)C2)C1.
What is the InChIKey of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-[2,2-dimethylpropyl(dihydroxy)-λ4-sulfanyl]-2,6-diazaspiro[3.3]heptan-6-yl]methanone?
The InChIKey is YCYKPTGXVAIHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N6O3S/c1-20(2,3)14-32(30,31)27-12-22(13-27)10-26(11-22)19(29)25-8-21(9-25)6-17(7-21)28-15-23-18(24-28)16-4-5-16/h15-17,30-31H,4-14H2,1-3H3.
What are the key properties of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-[2,2-dimethylpropyl(dihydroxy)-λ4-sulfanyl]-2,6-diazaspiro[3.3]heptan-6-yl]methanone?
[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-[2,2-dimethylpropyl(dihydroxy)-λ4-sulfanyl]-2,6-diazaspiro[3.3]heptan-6-yl]methanone has a molecular weight of 464.64 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[2-[2,2-dimethylpropyl(dihydroxy)-λ4-sulfanyl]-2,6-diazaspiro[3.3]heptan-6-yl]methanone is sourced from PubChem (CID 166083916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).