piperidine-4-sulfonyl fluoride

C5H10FNO2S — CID 87150313

IUPACpiperidine-4-sulfonyl fluoride
SMILESO=S(=O)(F)C1CCNCC1
InChIInChI=1S/C5H10FNO2S/c6-10(8,9)5-1-3-7-4-2-5/h5,7H,1-4H2
InChIKeySCUPXJIOUWNHCG-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.04
Rot. Bonds1

About piperidine-4-sulfonyl fluoride

piperidine-4-sulfonyl fluoride (PubChem CID 87150313) has the molecular formula C5H10FNO2S and a molecular weight of 167.20 g/mol. Its IUPAC name is piperidine-4-sulfonyl fluoride.

Molecular Properties

Compound Namepiperidine-4-sulfonyl fluoride
PubChem CID87150313
Molecular FormulaC5H10FNO2S
Molecular Weight167.20 g/mol
Exact Mass167.04
IUPAC Namepiperidine-4-sulfonyl fluoride
SMILESO=S(=O)(F)C1CCNCC1
InChIInChI=1S/C5H10FNO2S/c6-10(8,9)5-1-3-7-4-2-5/h5,7H,1-4H2
InChIKeySCUPXJIOUWNHCG-UHFFFAOYSA-N
XLogP0.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidine-4-sulfonyl fluoride?
The IUPAC name of piperidine-4-sulfonyl fluoride (CID 87150313) is piperidine-4-sulfonyl fluoride.
What is the SMILES notation for piperidine-4-sulfonyl fluoride?
The canonical SMILES for piperidine-4-sulfonyl fluoride is O=S(=O)(F)C1CCNCC1.
What is the InChIKey of piperidine-4-sulfonyl fluoride?
The InChIKey is SCUPXJIOUWNHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2S/c6-10(8,9)5-1-3-7-4-2-5/h5,7H,1-4H2.
What are the key properties of piperidine-4-sulfonyl fluoride?
piperidine-4-sulfonyl fluoride has a molecular weight of 167.20 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-4-sulfonyl fluoride is sourced from PubChem (CID 87150313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).