9-ethylsulfonyl-1-[(3-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decane

C17H25FN2O2S — CID 118742655

IUPAC9-ethylsulfonyl-1-[(3-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCCC2(CCCN2Cc2cccc(F)c2)C1
InChIInChI=1S/C17H25FN2O2S/c1-2-23(21,22)20-11-5-9-17(14-20)8-4-10-19(17)13-15-6-3-7-16(18)12-15/h3,6-7,12H,2,4-5,8-11,13-14H2,1H3
InChIKeyUJODTASLXUEMGM-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.61
Rot. Bonds4

About 9-ethylsulfonyl-1-[(3-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decane

9-ethylsulfonyl-1-[(3-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decane (PubChem CID 118742655) has the molecular formula C17H25FN2O2S and a molecular weight of 340.46 g/mol. Its IUPAC name is 9-ethylsulfonyl-1-[(3-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-ethylsulfonyl-1-[(3-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decane
PubChem CID118742655
Molecular FormulaC17H25FN2O2S
Molecular Weight340.46 g/mol
Exact Mass340.16
IUPAC Name9-ethylsulfonyl-1-[(3-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCCC2(CCCN2Cc2cccc(F)c2)C1
InChIInChI=1S/C17H25FN2O2S/c1-2-23(21,22)20-11-5-9-17(14-20)8-4-10-19(17)13-15-6-3-7-16(18)12-15/h3,6-7,12H,2,4-5,8-11,13-14H2,1H3
InChIKeyUJODTASLXUEMGM-UHFFFAOYSA-N
XLogP2.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-ethylsulfonyl-1-[(3-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decane?
The IUPAC name of 9-ethylsulfonyl-1-[(3-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decane (CID 118742655) is 9-ethylsulfonyl-1-[(3-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-ethylsulfonyl-1-[(3-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-ethylsulfonyl-1-[(3-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decane is CCS(=O)(=O)N1CCCC2(CCCN2Cc2cccc(F)c2)C1.
What is the InChIKey of 9-ethylsulfonyl-1-[(3-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decane?
The InChIKey is UJODTASLXUEMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2S/c1-2-23(21,22)20-11-5-9-17(14-20)8-4-10-19(17)13-15-6-3-7-16(18)12-15/h3,6-7,12H,2,4-5,8-11,13-14H2,1H3.
What are the key properties of 9-ethylsulfonyl-1-[(3-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decane?
9-ethylsulfonyl-1-[(3-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decane has a molecular weight of 340.46 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethylsulfonyl-1-[(3-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decane is sourced from PubChem (CID 118742655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).