[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanylphenyl]methanol

C20H25N3OS — CID 145210172

IUPAC[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanylphenyl]methanol
SMILESOCc1cccc(Sc2cnc(N3CCC4(CCCC4)CC3)cn2)c1
InChIInChI=1S/C20H25N3OS/c24-15-16-4-3-5-17(12-16)25-19-14-21-18(13-22-19)23-10-8-20(9-11-23)6-1-2-7-20/h3-5,12-14,24H,1-2,6-11,15H2
InChIKeyUHAPGMDMIHNRHF-UHFFFAOYSA-N
MW355.51 g/mol
LogP4.28
Rot. Bonds4

About [3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanylphenyl]methanol

[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanylphenyl]methanol (PubChem CID 145210172) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is [3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanylphenyl]methanol.

Molecular Properties

Compound Name[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanylphenyl]methanol
PubChem CID145210172
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanylphenyl]methanol
SMILESOCc1cccc(Sc2cnc(N3CCC4(CCCC4)CC3)cn2)c1
InChIInChI=1S/C20H25N3OS/c24-15-16-4-3-5-17(12-16)25-19-14-21-18(13-22-19)23-10-8-20(9-11-23)6-1-2-7-20/h3-5,12-14,24H,1-2,6-11,15H2
InChIKeyUHAPGMDMIHNRHF-UHFFFAOYSA-N
XLogP4.28
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanylphenyl]methanol?
The IUPAC name of [3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanylphenyl]methanol (CID 145210172) is [3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanylphenyl]methanol.
What is the SMILES notation for [3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanylphenyl]methanol?
The canonical SMILES for [3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanylphenyl]methanol is OCc1cccc(Sc2cnc(N3CCC4(CCCC4)CC3)cn2)c1.
What is the InChIKey of [3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanylphenyl]methanol?
The InChIKey is UHAPGMDMIHNRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c24-15-16-4-3-5-17(12-16)25-19-14-21-18(13-22-19)23-10-8-20(9-11-23)6-1-2-7-20/h3-5,12-14,24H,1-2,6-11,15H2.
What are the key properties of [3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanylphenyl]methanol?
[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanylphenyl]methanol has a molecular weight of 355.51 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanylphenyl]methanol is sourced from PubChem (CID 145210172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).