5-[4-(4-fluorophenyl)sulfanylbutyl]-5-azaspiro[2.3]hexane

C15H20FNS — CID 171542536

IUPAC5-[4-(4-fluorophenyl)sulfanylbutyl]-5-azaspiro[2.3]hexane
SMILESFc1ccc(SCCCCN2CC3(CC3)C2)cc1
InChIInChI=1S/C15H20FNS/c16-13-3-5-14(6-4-13)18-10-2-1-9-17-11-15(12-17)7-8-15/h3-6H,1-2,7-12H2
InChIKeyLXLVKECRCHGBGH-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.79
Rot. Bonds6

About 5-[4-(4-fluorophenyl)sulfanylbutyl]-5-azaspiro[2.3]hexane

5-[4-(4-fluorophenyl)sulfanylbutyl]-5-azaspiro[2.3]hexane (PubChem CID 171542536) has the molecular formula C15H20FNS and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)sulfanylbutyl]-5-azaspiro[2.3]hexane.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)sulfanylbutyl]-5-azaspiro[2.3]hexane
PubChem CID171542536
Molecular FormulaC15H20FNS
Molecular Weight265.40 g/mol
Exact Mass265.13
IUPAC Name5-[4-(4-fluorophenyl)sulfanylbutyl]-5-azaspiro[2.3]hexane
SMILESFc1ccc(SCCCCN2CC3(CC3)C2)cc1
InChIInChI=1S/C15H20FNS/c16-13-3-5-14(6-4-13)18-10-2-1-9-17-11-15(12-17)7-8-15/h3-6H,1-2,7-12H2
InChIKeyLXLVKECRCHGBGH-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-Cyclopropyl-ethyl)-4-(4-fluoro-phenylsulfanylmethyl)-piperidine
CID 15147193
1-(Cyclopropylmethyl)-4-[2-(2-fluorophenyl)sulfanylethyl]piperazine
CID 53534878
1-(Cyclopropylmethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine
CID 10401389
1-[4-(4-Fluorophenyl)sulfanylbutyl]piperidine
CID 53865782
1-[3-(4-Fluorophenyl)sulfanylpropyl]piperidine
CID 53923448
1-[2-[1-(4-fluorophenyl)sulfanylcyclopropyl]ethyl]-3,6-dihydro-2H-pyridine
CID 141114100
4-[2-(4-Fluorophenyl)sulfanylethyl]-1-methylpiperidine
CID 142021686
1-[2-(3-Fluorophenyl)sulfanylethyl]piperidine
CID 153676810
3-(Difluoromethyl)-1-[4-(4-fluorophenyl)sulfanylbutyl]azetidine
CID 171542452
(2R)-4-(5-azaspiro[2.3]hexan-5-yl)-1-(4-fluorophenyl)sulfanylbutan-2-amine
CID 171542454
(2R)-4-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-1-(4-fluorophenyl)sulfanylbutan-2-amine
CID 171542501
3-Fluoro-1-[4-(4-fluorophenyl)sulfanylbutyl]-3-(methoxymethyl)azetidine
CID 171542734

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)sulfanylbutyl]-5-azaspiro[2.3]hexane?
The IUPAC name of 5-[4-(4-fluorophenyl)sulfanylbutyl]-5-azaspiro[2.3]hexane (CID 171542536) is 5-[4-(4-fluorophenyl)sulfanylbutyl]-5-azaspiro[2.3]hexane.
What is the SMILES notation for 5-[4-(4-fluorophenyl)sulfanylbutyl]-5-azaspiro[2.3]hexane?
The canonical SMILES for 5-[4-(4-fluorophenyl)sulfanylbutyl]-5-azaspiro[2.3]hexane is Fc1ccc(SCCCCN2CC3(CC3)C2)cc1.
What is the InChIKey of 5-[4-(4-fluorophenyl)sulfanylbutyl]-5-azaspiro[2.3]hexane?
The InChIKey is LXLVKECRCHGBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNS/c16-13-3-5-14(6-4-13)18-10-2-1-9-17-11-15(12-17)7-8-15/h3-6H,1-2,7-12H2.
What are the key properties of 5-[4-(4-fluorophenyl)sulfanylbutyl]-5-azaspiro[2.3]hexane?
5-[4-(4-fluorophenyl)sulfanylbutyl]-5-azaspiro[2.3]hexane has a molecular weight of 265.40 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)sulfanylbutyl]-5-azaspiro[2.3]hexane is sourced from PubChem (CID 171542536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).