8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

C17H24FN3O4S — CID 130225558

IUPAC8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(N1CCN(c2ccc(F)cc2)CC1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H24FN3O4S/c18-15-1-3-16(4-2-15)19-9-11-21(12-10-19)26(22,23)20-7-5-17(6-8-20)24-13-14-25-17/h1-4H,5-14H2
InChIKeyFYZDZUAPSGLXPL-UHFFFAOYSA-N
MW385.46 g/mol
LogP1.03
Rot. Bonds3

About 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 130225558) has the molecular formula C17H24FN3O4S and a molecular weight of 385.46 g/mol. Its IUPAC name is 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID130225558
Molecular FormulaC17H24FN3O4S
Molecular Weight385.46 g/mol
Exact Mass385.15
IUPAC Name8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(N1CCN(c2ccc(F)cc2)CC1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H24FN3O4S/c18-15-1-3-16(4-2-15)19-9-11-21(12-10-19)26(22,23)20-7-5-17(6-8-20)24-13-14-25-17/h1-4H,5-14H2
InChIKeyFYZDZUAPSGLXPL-UHFFFAOYSA-N
XLogP1.03
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 130225558) is 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is O=S(=O)(N1CCN(c2ccc(F)cc2)CC1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is FYZDZUAPSGLXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O4S/c18-15-1-3-16(4-2-15)19-9-11-21(12-10-19)26(22,23)20-7-5-17(6-8-20)24-13-14-25-17/h1-4H,5-14H2.
What are the key properties of 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 385.46 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 130225558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).