9-[(4-fluorophenyl)methyl]-2-propylsulfonyl-2,9-diazaspiro[4.5]decane

C18H27FN2O2S — CID 56896675

IUPAC9-[(4-fluorophenyl)methyl]-2-propylsulfonyl-2,9-diazaspiro[4.5]decane
SMILESCCCS(=O)(=O)N1CCC2(CCCN(Cc3ccc(F)cc3)C2)C1
InChIInChI=1S/C18H27FN2O2S/c1-2-12-24(22,23)21-11-9-18(15-21)8-3-10-20(14-18)13-16-4-6-17(19)7-5-16/h4-7H,2-3,8-15H2,1H3
InChIKeyWNZUBGNLVYWPAO-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.85
Rot. Bonds5

About 9-[(4-fluorophenyl)methyl]-2-propylsulfonyl-2,9-diazaspiro[4.5]decane

9-[(4-fluorophenyl)methyl]-2-propylsulfonyl-2,9-diazaspiro[4.5]decane (PubChem CID 56896675) has the molecular formula C18H27FN2O2S and a molecular weight of 354.49 g/mol. Its IUPAC name is 9-[(4-fluorophenyl)methyl]-2-propylsulfonyl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(4-fluorophenyl)methyl]-2-propylsulfonyl-2,9-diazaspiro[4.5]decane
PubChem CID56896675
Molecular FormulaC18H27FN2O2S
Molecular Weight354.49 g/mol
Exact Mass354.18
IUPAC Name9-[(4-fluorophenyl)methyl]-2-propylsulfonyl-2,9-diazaspiro[4.5]decane
SMILESCCCS(=O)(=O)N1CCC2(CCCN(Cc3ccc(F)cc3)C2)C1
InChIInChI=1S/C18H27FN2O2S/c1-2-12-24(22,23)21-11-9-18(15-21)8-3-10-20(14-18)13-16-4-6-17(19)7-5-16/h4-7H,2-3,8-15H2,1H3
InChIKeyWNZUBGNLVYWPAO-UHFFFAOYSA-N
XLogP2.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-fluorophenyl)methyl]-2-propylsulfonyl-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(4-fluorophenyl)methyl]-2-propylsulfonyl-2,9-diazaspiro[4.5]decane (CID 56896675) is 9-[(4-fluorophenyl)methyl]-2-propylsulfonyl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(4-fluorophenyl)methyl]-2-propylsulfonyl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(4-fluorophenyl)methyl]-2-propylsulfonyl-2,9-diazaspiro[4.5]decane is CCCS(=O)(=O)N1CCC2(CCCN(Cc3ccc(F)cc3)C2)C1.
What is the InChIKey of 9-[(4-fluorophenyl)methyl]-2-propylsulfonyl-2,9-diazaspiro[4.5]decane?
The InChIKey is WNZUBGNLVYWPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2S/c1-2-12-24(22,23)21-11-9-18(15-21)8-3-10-20(14-18)13-16-4-6-17(19)7-5-16/h4-7H,2-3,8-15H2,1H3.
What are the key properties of 9-[(4-fluorophenyl)methyl]-2-propylsulfonyl-2,9-diazaspiro[4.5]decane?
9-[(4-fluorophenyl)methyl]-2-propylsulfonyl-2,9-diazaspiro[4.5]decane has a molecular weight of 354.49 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-fluorophenyl)methyl]-2-propylsulfonyl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 56896675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).