3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane

C16H22FNO2S — CID 62866197

IUPAC3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane
SMILESO=S(=O)(c1ccccc1F)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H22FNO2S/c17-14-6-2-3-7-15(14)21(19,20)18-12-10-16(11-13-18)8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-13H2
InChIKeyXUYMQRZYNQOWFF-UHFFFAOYSA-N
MW311.42 g/mol
LogP3.56
Rot. Bonds2

About 3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane

3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane (PubChem CID 62866197) has the molecular formula C16H22FNO2S and a molecular weight of 311.42 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane
PubChem CID62866197
Molecular FormulaC16H22FNO2S
Molecular Weight311.42 g/mol
Exact Mass311.14
IUPAC Name3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane
SMILESO=S(=O)(c1ccccc1F)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H22FNO2S/c17-14-6-2-3-7-15(14)21(19,20)18-12-10-16(11-13-18)8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-13H2
InChIKeyXUYMQRZYNQOWFF-UHFFFAOYSA-N
XLogP3.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-cyclopentyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 45369149
1-(1-adamantyl)-4-(2-fluorophenyl)sulfonylpiperazine;hydrochloride
CID 163331836
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CID 97418013
(3R)-8-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418014
1-(2-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56882020
1-(4-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 2128103
3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 24819748
1'-(2-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
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1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 26527715

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane?
The IUPAC name of 3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane (CID 62866197) is 3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane is O=S(=O)(c1ccccc1F)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane?
The InChIKey is XUYMQRZYNQOWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2S/c17-14-6-2-3-7-15(14)21(19,20)18-12-10-16(11-13-18)8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-13H2.
What are the key properties of 3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane?
3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane has a molecular weight of 311.42 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 62866197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).