1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-3-ylethanone

C18H21N3O3S — CID 133139352

IUPAC1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-3-ylethanone
SMILESCc1cncc(OC2CCOC3(C2)CN(C(=O)Cc2ccsc2)C3)n1
InChIInChI=1S/C18H21N3O3S/c1-13-8-19-9-16(20-13)24-15-2-4-23-18(7-15)11-21(12-18)17(22)6-14-3-5-25-10-14/h3,5,8-10,15H,2,4,6-7,11-12H2,1H3
InChIKeyLJXYMTCRLHWVFD-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.23
Rot. Bonds4

About 1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-3-ylethanone

1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-3-ylethanone (PubChem CID 133139352) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-3-ylethanone
PubChem CID133139352
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-3-ylethanone
SMILESCc1cncc(OC2CCOC3(C2)CN(C(=O)Cc2ccsc2)C3)n1
InChIInChI=1S/C18H21N3O3S/c1-13-8-19-9-16(20-13)24-15-2-4-23-18(7-15)11-21(12-18)17(22)6-14-3-5-25-10-14/h3,5,8-10,15H,2,4,6-7,11-12H2,1H3
InChIKeyLJXYMTCRLHWVFD-UHFFFAOYSA-N
XLogP2.23
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 131692619
1-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-3-ylethanone
CID 124793677
(5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124913096
(8R)-8-[(5-methyl-3-pyridinyl)methoxy]-2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124913867
2-(3,4-dihydro-2H-chromen-6-yl)-1-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
CID 131692687
2-(2-methylphenyl)-1-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124821943
2-(4-methylphenyl)-1-[(8R)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124796331
1-[8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-pyridin-2-ylethanone
CID 133142918
[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone
CID 131656394
N,N-dimethyl-2-[[(8S)-2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]acetamide
CID 124807515
(5-methylpyrazin-2-yl)-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131649493
N,N-dimethyl-6-[(8R)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine
CID 124816205

Frequently Asked Questions

What is the IUPAC name of 1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-3-ylethanone (CID 133139352) is 1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-3-ylethanone is Cc1cncc(OC2CCOC3(C2)CN(C(=O)Cc2ccsc2)C3)n1.
What is the InChIKey of 1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-3-ylethanone?
The InChIKey is LJXYMTCRLHWVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13-8-19-9-16(20-13)24-15-2-4-23-18(7-15)11-21(12-18)17(22)6-14-3-5-25-10-14/h3,5,8-10,15H,2,4,6-7,11-12H2,1H3.
What are the key properties of 1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-3-ylethanone?
1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-3-ylethanone has a molecular weight of 359.45 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 133139352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).