(8R)-2-ethylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane

C16H24N2O4S — CID 124896021

IUPAC(8R)-2-ethylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
SMILESCCS(=O)(=O)N1CC2(C[C@@H](CCOc3ccccn3)CCO2)C1
InChIInChI=1S/C16H24N2O4S/c1-2-23(19,20)18-12-16(13-18)11-14(7-10-22-16)6-9-21-15-5-3-4-8-17-15/h3-5,8,14H,2,6-7,9-13H2,1H3/t14-/m0/s1
InChIKeyYJNDHHQYRZVYRZ-AWEZNQCLSA-N
MW340.44 g/mol
LogP1.68
Rot. Bonds6

About (8R)-2-ethylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane

(8R)-2-ethylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124896021) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is (8R)-2-ethylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8R)-2-ethylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124896021
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name(8R)-2-ethylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
SMILESCCS(=O)(=O)N1CC2(C[C@@H](CCOc3ccccn3)CCO2)C1
InChIInChI=1S/C16H24N2O4S/c1-2-23(19,20)18-12-16(13-18)11-14(7-10-22-16)6-9-21-15-5-3-4-8-17-15/h3-5,8,14H,2,6-7,9-13H2,1H3/t14-/m0/s1
InChIKeyYJNDHHQYRZVYRZ-AWEZNQCLSA-N
XLogP1.68
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8R)-2-ethylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane with MolForge

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Related Compounds

2-methoxy-1-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124791670
3-methoxy-1-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one
CID 131671965
(8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124795166
cyclobutyl-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692822
(8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124818161
N,N-dimethyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155825398
8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 171696059
2-propan-2-ylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131692753
(8R)-2-pyrimidin-2-yl-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124909678
2-propylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155865494
(4R)-8-methylsulfonyl-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124783917
8-(2-pyrazin-2-yloxyethyl)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 171693612

Frequently Asked Questions

What is the IUPAC name of (8R)-2-ethylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8R)-2-ethylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane (CID 124896021) is (8R)-2-ethylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8R)-2-ethylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8R)-2-ethylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane is CCS(=O)(=O)N1CC2(C[C@@H](CCOc3ccccn3)CCO2)C1.
What is the InChIKey of (8R)-2-ethylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is YJNDHHQYRZVYRZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-2-23(19,20)18-12-16(13-18)11-14(7-10-22-16)6-9-21-15-5-3-4-8-17-15/h3-5,8,14H,2,6-7,9-13H2,1H3/t14-/m0/s1.
What are the key properties of (8R)-2-ethylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?
(8R)-2-ethylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 340.44 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-ethylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124896021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).