piperidin-4-ylmethanesulfonyl fluoride;hydrochloride

C6H13ClFNO2S — CID 119057104

IUPACpiperidin-4-ylmethanesulfonyl fluoride;hydrochloride
SMILESCl.O=S(=O)(F)CC1CCNCC1
InChIInChI=1S/C6H12FNO2S.ClH/c7-11(9,10)5-6-1-3-8-4-2-6;/h6,8H,1-5H2;1H
InChIKeyGREMVWCGNQMRQQ-UHFFFAOYSA-N
MW217.69 g/mol
LogP0.71
Rot. Bonds2

About piperidin-4-ylmethanesulfonyl fluoride;hydrochloride

piperidin-4-ylmethanesulfonyl fluoride;hydrochloride (PubChem CID 119057104) has the molecular formula C6H13ClFNO2S and a molecular weight of 217.69 g/mol. Its IUPAC name is piperidin-4-ylmethanesulfonyl fluoride;hydrochloride.

Molecular Properties

Compound Namepiperidin-4-ylmethanesulfonyl fluoride;hydrochloride
PubChem CID119057104
Molecular FormulaC6H13ClFNO2S
Molecular Weight217.69 g/mol
Exact Mass217.03
IUPAC Namepiperidin-4-ylmethanesulfonyl fluoride;hydrochloride
SMILESCl.O=S(=O)(F)CC1CCNCC1
InChIInChI=1S/C6H12FNO2S.ClH/c7-11(9,10)5-6-1-3-8-4-2-6;/h6,8H,1-5H2;1H
InChIKeyGREMVWCGNQMRQQ-UHFFFAOYSA-N
XLogP0.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.69
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethanesulfonyl fluoride;hydrochloride?
The IUPAC name of piperidin-4-ylmethanesulfonyl fluoride;hydrochloride (CID 119057104) is piperidin-4-ylmethanesulfonyl fluoride;hydrochloride.
What is the SMILES notation for piperidin-4-ylmethanesulfonyl fluoride;hydrochloride?
The canonical SMILES for piperidin-4-ylmethanesulfonyl fluoride;hydrochloride is Cl.O=S(=O)(F)CC1CCNCC1.
What is the InChIKey of piperidin-4-ylmethanesulfonyl fluoride;hydrochloride?
The InChIKey is GREMVWCGNQMRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S.ClH/c7-11(9,10)5-6-1-3-8-4-2-6;/h6,8H,1-5H2;1H.
What are the key properties of piperidin-4-ylmethanesulfonyl fluoride;hydrochloride?
piperidin-4-ylmethanesulfonyl fluoride;hydrochloride has a molecular weight of 217.69 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethanesulfonyl fluoride;hydrochloride is sourced from PubChem (CID 119057104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).