[7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol

C13H16FNO4S — CID 166282149

IUPAC[7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol
SMILESO=S(=O)(c1ccc(F)cc1)N1CC(CO)C2(COC2)C1
InChIInChI=1S/C13H16FNO4S/c14-11-1-3-12(4-2-11)20(17,18)15-5-10(6-16)13(7-15)8-19-9-13/h1-4,10,16H,5-9H2
InChIKeyPGJXVFHZIJFSLY-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.46
Rot. Bonds3

About [7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol

[7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol (PubChem CID 166282149) has the molecular formula C13H16FNO4S and a molecular weight of 301.34 g/mol. Its IUPAC name is [7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol.

Molecular Properties

Compound Name[7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol
PubChem CID166282149
Molecular FormulaC13H16FNO4S
Molecular Weight301.34 g/mol
Exact Mass301.08
IUPAC Name[7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol
SMILESO=S(=O)(c1ccc(F)cc1)N1CC(CO)C2(COC2)C1
InChIInChI=1S/C13H16FNO4S/c14-11-1-3-12(4-2-11)20(17,18)15-5-10(6-16)13(7-15)8-19-9-13/h1-4,10,16H,5-9H2
InChIKeyPGJXVFHZIJFSLY-UHFFFAOYSA-N
XLogP0.46
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)sulfonylazetidin-3-ol
CID 63106433
(3aS,6aR)-5-(4-fluorophenyl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carboxylic acid
CID 126506453
[(2S,3aS,6aS)-1-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-2-yl]methanol
CID 125480931
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984
2-(4-fluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 43404978
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 8747656
8-(4-fluorophenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane
CID 169144154
(3S,4S)-1,4-bis[(4-fluorophenyl)sulfonyl]pyrrolidine-3-carboxylic acid
CID 92570174
2-(4-fluorophenyl)sulfonyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane
CID 146071012
2-[4-(trifluoromethyl)phenyl]sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 138809601
(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 93083334
4-(4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 43388105

Frequently Asked Questions

What is the IUPAC name of [7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol?
The IUPAC name of [7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol (CID 166282149) is [7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol.
What is the SMILES notation for [7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol?
The canonical SMILES for [7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol is O=S(=O)(c1ccc(F)cc1)N1CC(CO)C2(COC2)C1.
What is the InChIKey of [7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol?
The InChIKey is PGJXVFHZIJFSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S/c14-11-1-3-12(4-2-11)20(17,18)15-5-10(6-16)13(7-15)8-19-9-13/h1-4,10,16H,5-9H2.
What are the key properties of [7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol?
[7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol has a molecular weight of 301.34 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol is sourced from PubChem (CID 166282149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).