(8R)-8-ethoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane

C16H23NO5S — CID 124800681

IUPAC(8R)-8-ethoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane
SMILESCCO[C@@H]1CCOC2(C1)CN(S(=O)(=O)c1cccc(OC)c1)C2
InChIInChI=1S/C16H23NO5S/c1-3-21-14-7-8-22-16(10-14)11-17(12-16)23(18,19)15-6-4-5-13(9-15)20-2/h4-6,9,14H,3,7-8,10-12H2,1-2H3/t14-/m1/s1
InChIKeyXOBFOZGZYGAUCD-CQSZACIVSA-N
MW341.43 g/mol
LogP1.65
Rot. Bonds5

About (8R)-8-ethoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane

(8R)-8-ethoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124800681) has the molecular formula C16H23NO5S and a molecular weight of 341.43 g/mol. Its IUPAC name is (8R)-8-ethoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8R)-8-ethoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124800681
Molecular FormulaC16H23NO5S
Molecular Weight341.43 g/mol
Exact Mass341.13
IUPAC Name(8R)-8-ethoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane
SMILESCCO[C@@H]1CCOC2(C1)CN(S(=O)(=O)c1cccc(OC)c1)C2
InChIInChI=1S/C16H23NO5S/c1-3-21-14-7-8-22-16(10-14)11-17(12-16)23(18,19)15-6-4-5-13(9-15)20-2/h4-6,9,14H,3,7-8,10-12H2,1-2H3/t14-/m1/s1
InChIKeyXOBFOZGZYGAUCD-CQSZACIVSA-N
XLogP1.65
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(8S)-8-methoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane
CID 124800923
(8S)-2-(3-fluorophenyl)sulfonyl-8-methoxy-5-oxa-2-azaspiro[3.5]nonane
CID 124804203
(5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97116828
9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510515
4,8-bis[(3-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane
CID 59565045
(3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124801731
4-(3-methoxyphenyl)sulfonyl-2-methylmorpholine-2-carboxamide
CID 118739873
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
(7S)-7-ethoxy-2-(4-methoxyphenyl)sulfonyl-5-thia-2-azaspiro[3.4]octane
CID 124797789
2-(4-methylphenyl)sulfonyl-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155869256
1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
CID 90616602

Frequently Asked Questions

What is the IUPAC name of (8R)-8-ethoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8R)-8-ethoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane (CID 124800681) is (8R)-8-ethoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8R)-8-ethoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8R)-8-ethoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane is CCO[C@@H]1CCOC2(C1)CN(S(=O)(=O)c1cccc(OC)c1)C2.
What is the InChIKey of (8R)-8-ethoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is XOBFOZGZYGAUCD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23NO5S/c1-3-21-14-7-8-22-16(10-14)11-17(12-16)23(18,19)15-6-4-5-13(9-15)20-2/h4-6,9,14H,3,7-8,10-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (8R)-8-ethoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane?
(8R)-8-ethoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 341.43 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-ethoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124800681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).