(4S)-8-(2-fluorophenyl)sulfonyl-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decane

C17H24FNO4S — CID 124796749

IUPAC(4S)-8-(2-fluorophenyl)sulfonyl-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCOCC[C@H]1CCOC12CCN(S(=O)(=O)c1ccccc1F)CC2
InChIInChI=1S/C17H24FNO4S/c1-22-12-6-14-7-13-23-17(14)8-10-19(11-9-17)24(20,21)16-5-3-2-4-15(16)18/h2-5,14H,6-13H2,1H3/t14-/m0/s1
InChIKeyUBRDXTMGZWAWLR-AWEZNQCLSA-N
MW357.45 g/mol
LogP2.42
Rot. Bonds5

About (4S)-8-(2-fluorophenyl)sulfonyl-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decane

(4S)-8-(2-fluorophenyl)sulfonyl-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 124796749) has the molecular formula C17H24FNO4S and a molecular weight of 357.45 g/mol. Its IUPAC name is (4S)-8-(2-fluorophenyl)sulfonyl-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4S)-8-(2-fluorophenyl)sulfonyl-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID124796749
Molecular FormulaC17H24FNO4S
Molecular Weight357.45 g/mol
Exact Mass357.14
IUPAC Name(4S)-8-(2-fluorophenyl)sulfonyl-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCOCC[C@H]1CCOC12CCN(S(=O)(=O)c1ccccc1F)CC2
InChIInChI=1S/C17H24FNO4S/c1-22-12-6-14-7-13-23-17(14)8-10-19(11-9-17)24(20,21)16-5-3-2-4-15(16)18/h2-5,14H,6-13H2,1H3/t14-/m0/s1
InChIKeyUBRDXTMGZWAWLR-AWEZNQCLSA-N
XLogP2.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-8-(2-chlorophenyl)sulfonyl-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124870257
4-(2-methoxyethyl)-8-(2-methoxy-4-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 133140359
(3S)-8-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418013
(3R)-8-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418014
1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine
CID 64570512
2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718290
(3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131650244
8-methylsulfonyl-4-[2-(pyridin-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane
CID 133137089
N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
CID 91906153
8-(3,5-dimethylphenyl)sulfonyl-4-[2-(pyridin-2-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155861400
3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane
CID 62866197
4-(2-methoxyethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155859647

Frequently Asked Questions

What is the IUPAC name of (4S)-8-(2-fluorophenyl)sulfonyl-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (4S)-8-(2-fluorophenyl)sulfonyl-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decane (CID 124796749) is (4S)-8-(2-fluorophenyl)sulfonyl-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (4S)-8-(2-fluorophenyl)sulfonyl-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (4S)-8-(2-fluorophenyl)sulfonyl-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decane is COCC[C@H]1CCOC12CCN(S(=O)(=O)c1ccccc1F)CC2.
What is the InChIKey of (4S)-8-(2-fluorophenyl)sulfonyl-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is UBRDXTMGZWAWLR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24FNO4S/c1-22-12-6-14-7-13-23-17(14)8-10-19(11-9-17)24(20,21)16-5-3-2-4-15(16)18/h2-5,14H,6-13H2,1H3/t14-/m0/s1.
What are the key properties of (4S)-8-(2-fluorophenyl)sulfonyl-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decane?
(4S)-8-(2-fluorophenyl)sulfonyl-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 357.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-(2-fluorophenyl)sulfonyl-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 124796749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).