N-[[2-[(4-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide

C17H25FN2O3S — CID 131677501

IUPACN-[[2-[(4-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC2(CN(Cc3ccc(F)cc3)C2)OC1
InChIInChI=1S/C17H25FN2O3S/c1-2-24(21,22)19-9-15-7-8-17(23-11-15)12-20(13-17)10-14-3-5-16(18)6-4-14/h3-6,15,19H,2,7-13H2,1H3
InChIKeyZAZSTNDDRQYKKV-UHFFFAOYSA-N
MW356.46 g/mol
LogP1.75
Rot. Bonds6

About N-[[2-[(4-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide

N-[[2-[(4-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide (PubChem CID 131677501) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide
PubChem CID131677501
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC NameN-[[2-[(4-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC2(CN(Cc3ccc(F)cc3)C2)OC1
InChIInChI=1S/C17H25FN2O3S/c1-2-24(21,22)19-9-15-7-8-17(23-11-15)12-20(13-17)10-14-3-5-16(18)6-4-14/h3-6,15,19H,2,7-13H2,1H3
InChIKeyZAZSTNDDRQYKKV-UHFFFAOYSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(4-ethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
CID 131677615
N-[[(7S)-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide
CID 124895976
N,N-dimethyl-1-[2-[(4-methylsulfonylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methanamine
CID 131659694
N-[[(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
CID 124809692
N-[[(7S)-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide
CID 124779262
N-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide
CID 124779784
N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 171692919
N-[[(5S,7S)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]ethanesulfonamide
CID 124895675
N-[[(7S)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide
CID 124779919
N-[[2-(1,3-benzodioxol-5-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-2-methylpropanamide
CID 133143312
8-[(4-fluorophenyl)methyl]-N-[(1R,2R)-2-methylcyclopropyl]-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 166654998
N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide
CID 47454552

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[2-[(4-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide (CID 131677501) is N-[[2-[(4-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CCC2(CN(Cc3ccc(F)cc3)C2)OC1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide?
The InChIKey is ZAZSTNDDRQYKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-2-24(21,22)19-9-15-7-8-17(23-11-15)12-20(13-17)10-14-3-5-16(18)6-4-14/h3-6,15,19H,2,7-13H2,1H3.
What are the key properties of N-[[2-[(4-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide?
N-[[2-[(4-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide has a molecular weight of 356.46 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 131677501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).