8-[(4-fluorophenyl)methylsulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane

C14H18FNO4S — CID 35398957

IUPAC8-[(4-fluorophenyl)methylsulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H18FNO4S/c15-13-3-1-12(2-4-13)11-21(17,18)16-7-5-14(6-8-16)19-9-10-20-14/h1-4H,5-11H2
InChIKeyVKLJUBCBNNRFMX-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.49
Rot. Bonds3

About 8-[(4-fluorophenyl)methylsulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(4-fluorophenyl)methylsulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 35398957) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methylsulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methylsulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID35398957
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name8-[(4-fluorophenyl)methylsulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H18FNO4S/c15-13-3-1-12(2-4-13)11-21(17,18)16-7-5-14(6-8-16)19-9-10-20-14/h1-4H,5-11H2
InChIKeyVKLJUBCBNNRFMX-UHFFFAOYSA-N
XLogP1.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methylsulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(4-fluorophenyl)methylsulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 35398957) is 8-[(4-fluorophenyl)methylsulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(4-fluorophenyl)methylsulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(4-fluorophenyl)methylsulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane is O=S(=O)(Cc1ccc(F)cc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[(4-fluorophenyl)methylsulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is VKLJUBCBNNRFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4S/c15-13-3-1-12(2-4-13)11-21(17,18)16-7-5-14(6-8-16)19-9-10-20-14/h1-4H,5-11H2.
What are the key properties of 8-[(4-fluorophenyl)methylsulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(4-fluorophenyl)methylsulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 315.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methylsulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 35398957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).