2-[[2-(pyrazine-2-carbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone

C17H22N4O3S — CID 131692419

IUPAC2-[[2-(pyrazine-2-carbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COC1CSC2(C1)CN(C(=O)c1cnccn1)C2)N1CCCC1
InChIInChI=1S/C17H22N4O3S/c22-15(20-5-1-2-6-20)9-24-13-7-17(25-10-13)11-21(12-17)16(23)14-8-18-3-4-19-14/h3-4,8,13H,1-2,5-7,9-12H2
InChIKeyFSSIQGXZTIFUAT-UHFFFAOYSA-N
MW362.46 g/mol
LogP0.82
Rot. Bonds4

About 2-[[2-(pyrazine-2-carbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone

2-[[2-(pyrazine-2-carbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone (PubChem CID 131692419) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-[[2-(pyrazine-2-carbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[2-(pyrazine-2-carbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone
PubChem CID131692419
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name2-[[2-(pyrazine-2-carbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COC1CSC2(C1)CN(C(=O)c1cnccn1)C2)N1CCCC1
InChIInChI=1S/C17H22N4O3S/c22-15(20-5-1-2-6-20)9-24-13-7-17(25-10-13)11-21(12-17)16(23)14-8-18-3-4-19-14/h3-4,8,13H,1-2,5-7,9-12H2
InChIKeyFSSIQGXZTIFUAT-UHFFFAOYSA-N
XLogP0.82
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(1H-pyrazole-5-carbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 131693413
[(7S)-7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone
CID 124792639
pyrazin-2-yl-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155866227
2-cyclopentyloxy-1-[(7R)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124785892
2-[[(7R)-2-[(1-ethylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 124831321
pyridin-2-yl-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131677620
[(7R)-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone
CID 124791489
[(7S)-7-(pyridin-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone
CID 124797108
(5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124913264
2-[[(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 124809543
2-cyclopentyloxy-1-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155839124
1,3-oxazol-4-yl-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124788196

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(pyrazine-2-carbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[2-(pyrazine-2-carbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone (CID 131692419) is 2-[[2-(pyrazine-2-carbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[2-(pyrazine-2-carbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[2-(pyrazine-2-carbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone is O=C(COC1CSC2(C1)CN(C(=O)c1cnccn1)C2)N1CCCC1.
What is the InChIKey of 2-[[2-(pyrazine-2-carbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is FSSIQGXZTIFUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c22-15(20-5-1-2-6-20)9-24-13-7-17(25-10-13)11-21(12-17)16(23)14-8-18-3-4-19-14/h3-4,8,13H,1-2,5-7,9-12H2.
What are the key properties of 2-[[2-(pyrazine-2-carbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone?
2-[[2-(pyrazine-2-carbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 362.46 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(pyrazine-2-carbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 131692419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).