2-piperidin-3-ylethanesulfonyl fluoride;hydrochloride

C7H15ClFNO2S — CID 146049275

IUPAC2-piperidin-3-ylethanesulfonyl fluoride;hydrochloride
SMILESCl.O=S(=O)(F)CCC1CCCNC1
InChIInChI=1S/C7H14FNO2S.ClH/c8-12(10,11)5-3-7-2-1-4-9-6-7;/h7,9H,1-6H2;1H
InChIKeyVZOLYTYXEHYSEC-UHFFFAOYSA-N
MW231.72 g/mol
LogP1.10
Rot. Bonds3

About 2-piperidin-3-ylethanesulfonyl fluoride;hydrochloride

2-piperidin-3-ylethanesulfonyl fluoride;hydrochloride (PubChem CID 146049275) has the molecular formula C7H15ClFNO2S and a molecular weight of 231.72 g/mol. Its IUPAC name is 2-piperidin-3-ylethanesulfonyl fluoride;hydrochloride.

Molecular Properties

Compound Name2-piperidin-3-ylethanesulfonyl fluoride;hydrochloride
PubChem CID146049275
Molecular FormulaC7H15ClFNO2S
Molecular Weight231.72 g/mol
Exact Mass231.05
IUPAC Name2-piperidin-3-ylethanesulfonyl fluoride;hydrochloride
SMILESCl.O=S(=O)(F)CCC1CCCNC1
InChIInChI=1S/C7H14FNO2S.ClH/c8-12(10,11)5-3-7-2-1-4-9-6-7;/h7,9H,1-6H2;1H
InChIKeyVZOLYTYXEHYSEC-UHFFFAOYSA-N
XLogP1.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylethanesulfonyl fluoride;hydrochloride?
The IUPAC name of 2-piperidin-3-ylethanesulfonyl fluoride;hydrochloride (CID 146049275) is 2-piperidin-3-ylethanesulfonyl fluoride;hydrochloride.
What is the SMILES notation for 2-piperidin-3-ylethanesulfonyl fluoride;hydrochloride?
The canonical SMILES for 2-piperidin-3-ylethanesulfonyl fluoride;hydrochloride is Cl.O=S(=O)(F)CCC1CCCNC1.
What is the InChIKey of 2-piperidin-3-ylethanesulfonyl fluoride;hydrochloride?
The InChIKey is VZOLYTYXEHYSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S.ClH/c8-12(10,11)5-3-7-2-1-4-9-6-7;/h7,9H,1-6H2;1H.
What are the key properties of 2-piperidin-3-ylethanesulfonyl fluoride;hydrochloride?
2-piperidin-3-ylethanesulfonyl fluoride;hydrochloride has a molecular weight of 231.72 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylethanesulfonyl fluoride;hydrochloride is sourced from PubChem (CID 146049275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).