2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane

C15H21FN2O2S — CID 102849967

IUPAC2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane
SMILESO=S(=O)(c1ccccc1F)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C15H21FN2O2S/c16-13-5-1-2-6-14(13)21(19,20)18-10-4-8-15(12-18)7-3-9-17-11-15/h1-2,5-6,17H,3-4,7-12H2
InChIKeyDHDWKCOMDOVMQJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.98
Rot. Bonds2

About 2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane

2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane (PubChem CID 102849967) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane
PubChem CID102849967
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC Name2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane
SMILESO=S(=O)(c1ccccc1F)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C15H21FN2O2S/c16-13-5-1-2-6-14(13)21(19,20)18-10-4-8-15(12-18)7-3-9-17-11-15/h1-2,5-6,17H,3-4,7-12H2
InChIKeyDHDWKCOMDOVMQJ-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102850032
7-(2,3-dichlorophenyl)sulfonyl-2,7-diazaspiro[4.5]decane
CID 56747043
3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane
CID 62866197
2-(2,5-dibromothiophen-3-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102849983
2-(5-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102850015
7-(2,5-dimethylthiophen-3-yl)sulfonyl-2,7-diazaspiro[4.5]decane
CID 122556209
2-(5-chloro-2-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane;hydrochloride
CID 154887610
2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane
CID 82038202
2-[1-(2-fluorophenyl)ethyl]-2,8-diazaspiro[5.5]undecane
CID 102849330
(6R)-2-propan-2-ylsulfonyl-2,8-diazaspiro[5.5]undecane
CID 97449155
(5S)-7-(6-methylquinolin-8-yl)sulfonyl-2,7-diazaspiro[4.5]decane
CID 125436956
6-[[(5S)-2,9-diazaspiro[4.5]decan-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one
CID 95230701

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane (CID 102849967) is 2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane is O=S(=O)(c1ccccc1F)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane?
The InChIKey is DHDWKCOMDOVMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c16-13-5-1-2-6-14(13)21(19,20)18-10-4-8-15(12-18)7-3-9-17-11-15/h1-2,5-6,17H,3-4,7-12H2.
What are the key properties of 2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane?
2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane has a molecular weight of 312.41 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 102849967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).