4-methylpiperidine-1-sulfonyl fluoride

C6H12FNO2S — CID 56965516

IUPAC4-methylpiperidine-1-sulfonyl fluoride
SMILESCC1CCN(S(=O)(=O)F)CC1
InChIInChI=1S/C6H12FNO2S/c1-6-2-4-8(5-3-6)11(7,9)10/h6H,2-5H2,1H3
InChIKeyOPUQOSBFYLLXHW-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.93
Rot. Bonds1

About 4-methylpiperidine-1-sulfonyl fluoride

4-methylpiperidine-1-sulfonyl fluoride (PubChem CID 56965516) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-methylpiperidine-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-methylpiperidine-1-sulfonyl fluoride
PubChem CID56965516
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name4-methylpiperidine-1-sulfonyl fluoride
SMILESCC1CCN(S(=O)(=O)F)CC1
InChIInChI=1S/C6H12FNO2S/c1-6-2-4-8(5-3-6)11(7,9)10/h6H,2-5H2,1H3
InChIKeyOPUQOSBFYLLXHW-UHFFFAOYSA-N
XLogP0.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylpiperidine-1-sulfonyl fluoride?
The IUPAC name of 4-methylpiperidine-1-sulfonyl fluoride (CID 56965516) is 4-methylpiperidine-1-sulfonyl fluoride.
What is the SMILES notation for 4-methylpiperidine-1-sulfonyl fluoride?
The canonical SMILES for 4-methylpiperidine-1-sulfonyl fluoride is CC1CCN(S(=O)(=O)F)CC1.
What is the InChIKey of 4-methylpiperidine-1-sulfonyl fluoride?
The InChIKey is OPUQOSBFYLLXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c1-6-2-4-8(5-3-6)11(7,9)10/h6H,2-5H2,1H3.
What are the key properties of 4-methylpiperidine-1-sulfonyl fluoride?
4-methylpiperidine-1-sulfonyl fluoride has a molecular weight of 181.23 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperidine-1-sulfonyl fluoride is sourced from PubChem (CID 56965516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).