(8R)-2-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane

C17H21N3O2S — CID 124813244

IUPAC(8R)-2-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccc(CN2CC3(C[C@H](Oc4cnccn4)CCO3)C2)s1
InChIInChI=1S/C17H21N3O2S/c1-13-2-3-15(23-13)10-20-11-17(12-20)8-14(4-7-21-17)22-16-9-18-5-6-19-16/h2-3,5-6,9,14H,4,7-8,10-12H2,1H3/t14-/m1/s1
InChIKeyHLDKUWFFPDAWIS-CQSZACIVSA-N
MW331.44 g/mol
LogP2.66
Rot. Bonds4

About (8R)-2-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane

(8R)-2-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124813244) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is (8R)-2-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8R)-2-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124813244
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name(8R)-2-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccc(CN2CC3(C[C@H](Oc4cnccn4)CCO3)C2)s1
InChIInChI=1S/C17H21N3O2S/c1-13-2-3-15(23-13)10-20-11-17(12-20)8-14(4-7-21-17)22-16-9-18-5-6-19-16/h2-3,5-6,9,14H,4,7-8,10-12H2,1H3/t14-/m1/s1
InChIKeyHLDKUWFFPDAWIS-CQSZACIVSA-N
XLogP2.66
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8R)-2-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8R)-2-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane (CID 124813244) is (8R)-2-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8R)-2-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8R)-2-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane is Cc1ccc(CN2CC3(C[C@H](Oc4cnccn4)CCO3)C2)s1.
What is the InChIKey of (8R)-2-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is HLDKUWFFPDAWIS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-13-2-3-15(23-13)10-20-11-17(12-20)8-14(4-7-21-17)22-16-9-18-5-6-19-16/h2-3,5-6,9,14H,4,7-8,10-12H2,1H3/t14-/m1/s1.
What are the key properties of (8R)-2-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane?
(8R)-2-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 331.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124813244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).