pyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

C18H22N4OS — CID 97370066

IUPACpyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESO=C(c1cnccn1)N1CCC2(CCN(Cc3ccsc3)C2)CC1
InChIInChI=1S/C18H22N4OS/c23-17(16-11-19-5-6-20-16)22-8-3-18(4-9-22)2-7-21(14-18)12-15-1-10-24-13-15/h1,5-6,10-11,13H,2-4,7-9,12,14H2
InChIKeyUEBUTKLTWUQNJO-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.67
Rot. Bonds3

About pyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

pyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 97370066) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is pyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID97370066
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Namepyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESO=C(c1cnccn1)N1CCC2(CCN(Cc3ccsc3)C2)CC1
InChIInChI=1S/C18H22N4OS/c23-17(16-11-19-5-6-20-16)22-8-3-18(4-9-22)2-7-21(14-18)12-15-1-10-24-13-15/h1,5-6,10-11,13H,2-4,7-9,12,14H2
InChIKeyUEBUTKLTWUQNJO-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of pyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 97370066) is pyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is O=C(c1cnccn1)N1CCC2(CCN(Cc3ccsc3)C2)CC1.
What is the InChIKey of pyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is UEBUTKLTWUQNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c23-17(16-11-19-5-6-20-16)22-8-3-18(4-9-22)2-7-21(14-18)12-15-1-10-24-13-15/h1,5-6,10-11,13H,2-4,7-9,12,14H2.
What are the key properties of pyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
pyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 342.47 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97370066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).