piperidin-3-ylmethanesulfonyl fluoride

C6H12FNO2S — CID 115015874

IUPACpiperidin-3-ylmethanesulfonyl fluoride
SMILESO=S(=O)(F)CC1CCCNC1
InChIInChI=1S/C6H12FNO2S/c7-11(9,10)5-6-2-1-3-8-4-6/h6,8H,1-5H2
InChIKeyKFOQNPXRGNXNKP-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.29
Rot. Bonds2

About piperidin-3-ylmethanesulfonyl fluoride

piperidin-3-ylmethanesulfonyl fluoride (PubChem CID 115015874) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is piperidin-3-ylmethanesulfonyl fluoride.

Molecular Properties

Compound Namepiperidin-3-ylmethanesulfonyl fluoride
PubChem CID115015874
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Namepiperidin-3-ylmethanesulfonyl fluoride
SMILESO=S(=O)(F)CC1CCCNC1
InChIInChI=1S/C6H12FNO2S/c7-11(9,10)5-6-2-1-3-8-4-6/h6,8H,1-5H2
InChIKeyKFOQNPXRGNXNKP-UHFFFAOYSA-N
XLogP0.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-3-ylmethanesulfonyl fluoride?
The IUPAC name of piperidin-3-ylmethanesulfonyl fluoride (CID 115015874) is piperidin-3-ylmethanesulfonyl fluoride.
What is the SMILES notation for piperidin-3-ylmethanesulfonyl fluoride?
The canonical SMILES for piperidin-3-ylmethanesulfonyl fluoride is O=S(=O)(F)CC1CCCNC1.
What is the InChIKey of piperidin-3-ylmethanesulfonyl fluoride?
The InChIKey is KFOQNPXRGNXNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c7-11(9,10)5-6-2-1-3-8-4-6/h6,8H,1-5H2.
What are the key properties of piperidin-3-ylmethanesulfonyl fluoride?
piperidin-3-ylmethanesulfonyl fluoride has a molecular weight of 181.23 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-ylmethanesulfonyl fluoride is sourced from PubChem (CID 115015874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).