piperidin-3-ylmethanesulfonyl fluoride;hydrochloride

C6H13ClFNO2S — CID 122163718

IUPACpiperidin-3-ylmethanesulfonyl fluoride;hydrochloride
SMILESCl.O=S(=O)(F)CC1CCCNC1
InChIInChI=1S/C6H12FNO2S.ClH/c7-11(9,10)5-6-2-1-3-8-4-6;/h6,8H,1-5H2;1H
InChIKeyJWUPNCQPYQMKPU-UHFFFAOYSA-N
MW217.69 g/mol
LogP0.71
Rot. Bonds2

About piperidin-3-ylmethanesulfonyl fluoride;hydrochloride

piperidin-3-ylmethanesulfonyl fluoride;hydrochloride (PubChem CID 122163718) has the molecular formula C6H13ClFNO2S and a molecular weight of 217.69 g/mol. Its IUPAC name is piperidin-3-ylmethanesulfonyl fluoride;hydrochloride.

Molecular Properties

Compound Namepiperidin-3-ylmethanesulfonyl fluoride;hydrochloride
PubChem CID122163718
Molecular FormulaC6H13ClFNO2S
Molecular Weight217.69 g/mol
Exact Mass217.03
IUPAC Namepiperidin-3-ylmethanesulfonyl fluoride;hydrochloride
SMILESCl.O=S(=O)(F)CC1CCCNC1
InChIInChI=1S/C6H12FNO2S.ClH/c7-11(9,10)5-6-2-1-3-8-4-6;/h6,8H,1-5H2;1H
InChIKeyJWUPNCQPYQMKPU-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

Analyze piperidin-3-ylmethanesulfonyl fluoride;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of piperidin-3-ylmethanesulfonyl fluoride;hydrochloride?
The IUPAC name of piperidin-3-ylmethanesulfonyl fluoride;hydrochloride (CID 122163718) is piperidin-3-ylmethanesulfonyl fluoride;hydrochloride.
What is the SMILES notation for piperidin-3-ylmethanesulfonyl fluoride;hydrochloride?
The canonical SMILES for piperidin-3-ylmethanesulfonyl fluoride;hydrochloride is Cl.O=S(=O)(F)CC1CCCNC1.
What is the InChIKey of piperidin-3-ylmethanesulfonyl fluoride;hydrochloride?
The InChIKey is JWUPNCQPYQMKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S.ClH/c7-11(9,10)5-6-2-1-3-8-4-6;/h6,8H,1-5H2;1H.
What are the key properties of piperidin-3-ylmethanesulfonyl fluoride;hydrochloride?
piperidin-3-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-3-ylmethanesulfonyl fluoride;hydrochloride is sourced from PubChem (CID 122163718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).