(8S)-2-(4-methylphenyl)sulfonyl-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane

C18H21N3O4S — CID 124811015

IUPAC(8S)-2-(4-methylphenyl)sulfonyl-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccc(S(=O)(=O)N2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)cc1
InChIInChI=1S/C18H21N3O4S/c1-14-2-4-16(5-3-14)26(22,23)21-12-18(13-21)10-15(6-9-24-18)25-17-11-19-7-8-20-17/h2-5,7-8,11,15H,6,9-10,12-13H2,1H3/t15-/m0/s1
InChIKeyXJQLIAPUZCAGOU-HNNXBMFYSA-N
MW375.45 g/mol
LogP1.79
Rot. Bonds4

About (8S)-2-(4-methylphenyl)sulfonyl-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane

(8S)-2-(4-methylphenyl)sulfonyl-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124811015) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is (8S)-2-(4-methylphenyl)sulfonyl-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-2-(4-methylphenyl)sulfonyl-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124811015
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name(8S)-2-(4-methylphenyl)sulfonyl-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccc(S(=O)(=O)N2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)cc1
InChIInChI=1S/C18H21N3O4S/c1-14-2-4-16(5-3-14)26(22,23)21-12-18(13-21)10-15(6-9-24-18)25-17-11-19-7-8-20-17/h2-5,7-8,11,15H,6,9-10,12-13H2,1H3/t15-/m0/s1
InChIKeyXJQLIAPUZCAGOU-HNNXBMFYSA-N
XLogP1.79
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(8R)-8-pyridin-2-yloxy-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.5]nonane
CID 124779208
(8R)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124911109
(8R)-2-[(5-methylfuran-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124817051
(5-methylpyrazin-2-yl)-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131649493
2-(4-methylphenyl)sulfonyl-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155869256
1,3-oxazol-4-yl-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 133139925
2-[(4-fluorophenyl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131657327
2-propan-2-ylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131692753
(1-ethylpiperidin-4-yl)-[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124830917
(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124803732
2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636426
2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636355

Frequently Asked Questions

What is the IUPAC name of (8S)-2-(4-methylphenyl)sulfonyl-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8S)-2-(4-methylphenyl)sulfonyl-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane (CID 124811015) is (8S)-2-(4-methylphenyl)sulfonyl-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8S)-2-(4-methylphenyl)sulfonyl-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8S)-2-(4-methylphenyl)sulfonyl-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane is Cc1ccc(S(=O)(=O)N2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)cc1.
What is the InChIKey of (8S)-2-(4-methylphenyl)sulfonyl-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is XJQLIAPUZCAGOU-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-14-2-4-16(5-3-14)26(22,23)21-12-18(13-21)10-15(6-9-24-18)25-17-11-19-7-8-20-17/h2-5,7-8,11,15H,6,9-10,12-13H2,1H3/t15-/m0/s1.
What are the key properties of (8S)-2-(4-methylphenyl)sulfonyl-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
(8S)-2-(4-methylphenyl)sulfonyl-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 375.45 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-(4-methylphenyl)sulfonyl-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124811015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).