pyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

C18H22N4OS — CID 118743359

IUPACpyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESO=C(c1cnccn1)N1CCCC2(CCN(Cc3ccsc3)C2)C1
InChIInChI=1S/C18H22N4OS/c23-17(16-10-19-5-6-20-16)22-7-1-3-18(14-22)4-8-21(13-18)11-15-2-9-24-12-15/h2,5-6,9-10,12H,1,3-4,7-8,11,13-14H2
InChIKeyCHMNAZQDJSLTCR-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.67
Rot. Bonds3

About pyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

pyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 118743359) 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)-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID118743359
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Namepyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESO=C(c1cnccn1)N1CCCC2(CCN(Cc3ccsc3)C2)C1
InChIInChI=1S/C18H22N4OS/c23-17(16-10-19-5-6-20-16)22-7-1-3-18(14-22)4-8-21(13-18)11-15-2-9-24-12-15/h2,5-6,9-10,12H,1,3-4,7-8,11,13-14H2
InChIKeyCHMNAZQDJSLTCR-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)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of pyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 118743359) is pyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is O=C(c1cnccn1)N1CCCC2(CCN(Cc3ccsc3)C2)C1.
What is the InChIKey of pyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is CHMNAZQDJSLTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c23-17(16-10-19-5-6-20-16)22-7-1-3-18(14-22)4-8-21(13-18)11-15-2-9-24-12-15/h2,5-6,9-10,12H,1,3-4,7-8,11,13-14H2.
What are the key properties of pyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
pyrazin-2-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-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)-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 118743359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).