2-(4-fluorophenyl)sulfonyl-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one

C17H24FN3O3S — CID 146066921

IUPAC2-(4-fluorophenyl)sulfonyl-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one
SMILESCC(C)N1CCC(=O)NC2(CCN(S(=O)(=O)c3ccc(F)cc3)C2)C1
InChIInChI=1S/C17H24FN3O3S/c1-13(2)20-9-7-16(22)19-17(11-20)8-10-21(12-17)25(23,24)15-5-3-14(18)4-6-15/h3-6,13H,7-12H2,1-2H3,(H,19,22)
InChIKeyICCTZBBVDADWAE-UHFFFAOYSA-N
MW369.46 g/mol
LogP1.19
Rot. Bonds3

About 2-(4-fluorophenyl)sulfonyl-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one

2-(4-fluorophenyl)sulfonyl-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one (PubChem CID 146066921) has the molecular formula C17H24FN3O3S and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one
PubChem CID146066921
Molecular FormulaC17H24FN3O3S
Molecular Weight369.46 g/mol
Exact Mass369.15
IUPAC Name2-(4-fluorophenyl)sulfonyl-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one
SMILESCC(C)N1CCC(=O)NC2(CCN(S(=O)(=O)c3ccc(F)cc3)C2)C1
InChIInChI=1S/C17H24FN3O3S/c1-13(2)20-9-7-16(22)19-17(11-20)8-10-21(12-17)25(23,24)15-5-3-14(18)4-6-15/h3-6,13H,7-12H2,1-2H3,(H,19,22)
InChIKeyICCTZBBVDADWAE-UHFFFAOYSA-N
XLogP1.19
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(4-fluorophenyl)sulfonyl-1,8-diazaspiro[4.5]decan-2-one
CID 97397045
8-(4-fluorophenyl)sulfonyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110504335
(4S)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-2-one
CID 97174895
ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one
CID 143985374
(5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97484696
(2S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile
CID 8747120
2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane
CID 118386146
1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 8747278
(3S)-1'-(4-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103781
2-[5-(4-methoxyphenyl)-1,3-oxazole-4-carbonyl]-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one
CID 146066916
1-(4-fluorophenyl)sulfonyl-4-[(2S)-4-phenylbutan-2-yl]piperazine
CID 1151796
8-(4-fluorophenyl)sulfonyl-4-methyl-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91920529

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one (CID 146066921) is 2-(4-fluorophenyl)sulfonyl-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one is CC(C)N1CCC(=O)NC2(CCN(S(=O)(=O)c3ccc(F)cc3)C2)C1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one?
The InChIKey is ICCTZBBVDADWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3S/c1-13(2)20-9-7-16(22)19-17(11-20)8-10-21(12-17)25(23,24)15-5-3-14(18)4-6-15/h3-6,13H,7-12H2,1-2H3,(H,19,22).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one?
2-(4-fluorophenyl)sulfonyl-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one has a molecular weight of 369.46 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one is sourced from PubChem (CID 146066921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).