pyrazin-2-yl-[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone

C16H18N4OS — CID 97369889

IUPACpyrazin-2-yl-[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
SMILESO=C(c1cnccn1)N1CC2(CCN(Cc3ccsc3)C2)C1
InChIInChI=1S/C16H18N4OS/c21-15(14-7-17-3-4-18-14)20-11-16(12-20)2-5-19(10-16)8-13-1-6-22-9-13/h1,3-4,6-7,9H,2,5,8,10-12H2
InChIKeyPCDJOWAKRZCWOW-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.89
Rot. Bonds3

About pyrazin-2-yl-[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone

pyrazin-2-yl-[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone (PubChem CID 97369889) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is pyrazin-2-yl-[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
PubChem CID97369889
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Namepyrazin-2-yl-[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
SMILESO=C(c1cnccn1)N1CC2(CCN(Cc3ccsc3)C2)C1
InChIInChI=1S/C16H18N4OS/c21-15(14-7-17-3-4-18-14)20-11-16(12-20)2-5-19(10-16)8-13-1-6-22-9-13/h1,3-4,6-7,9H,2,5,8,10-12H2
InChIKeyPCDJOWAKRZCWOW-UHFFFAOYSA-N
XLogP1.89
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of pyrazin-2-yl-[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone (CID 97369889) is pyrazin-2-yl-[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone is O=C(c1cnccn1)N1CC2(CCN(Cc3ccsc3)C2)C1.
What is the InChIKey of pyrazin-2-yl-[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone?
The InChIKey is PCDJOWAKRZCWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c21-15(14-7-17-3-4-18-14)20-11-16(12-20)2-5-19(10-16)8-13-1-6-22-9-13/h1,3-4,6-7,9H,2,5,8,10-12H2.
What are the key properties of pyrazin-2-yl-[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone?
pyrazin-2-yl-[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone has a molecular weight of 314.41 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 97369889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).