2-piperidin-3-ylpropane-1-sulfonyl fluoride

C8H16FNO2S — CID 115026490

IUPAC2-piperidin-3-ylpropane-1-sulfonyl fluoride
SMILESCC(CS(=O)(=O)F)C1CCCNC1
InChIInChI=1S/C8H16FNO2S/c1-7(6-13(9,11)12)8-3-2-4-10-5-8/h7-8,10H,2-6H2,1H3
InChIKeyAEXSZTGJZRHSTH-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.92
Rot. Bonds3

About 2-piperidin-3-ylpropane-1-sulfonyl fluoride

2-piperidin-3-ylpropane-1-sulfonyl fluoride (PubChem CID 115026490) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-piperidin-3-ylpropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2-piperidin-3-ylpropane-1-sulfonyl fluoride
PubChem CID115026490
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name2-piperidin-3-ylpropane-1-sulfonyl fluoride
SMILESCC(CS(=O)(=O)F)C1CCCNC1
InChIInChI=1S/C8H16FNO2S/c1-7(6-13(9,11)12)8-3-2-4-10-5-8/h7-8,10H,2-6H2,1H3
InChIKeyAEXSZTGJZRHSTH-UHFFFAOYSA-N
XLogP0.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylpropane-1-sulfonyl fluoride?
The IUPAC name of 2-piperidin-3-ylpropane-1-sulfonyl fluoride (CID 115026490) is 2-piperidin-3-ylpropane-1-sulfonyl fluoride.
What is the SMILES notation for 2-piperidin-3-ylpropane-1-sulfonyl fluoride?
The canonical SMILES for 2-piperidin-3-ylpropane-1-sulfonyl fluoride is CC(CS(=O)(=O)F)C1CCCNC1.
What is the InChIKey of 2-piperidin-3-ylpropane-1-sulfonyl fluoride?
The InChIKey is AEXSZTGJZRHSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-7(6-13(9,11)12)8-3-2-4-10-5-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 2-piperidin-3-ylpropane-1-sulfonyl fluoride?
2-piperidin-3-ylpropane-1-sulfonyl fluoride has a molecular weight of 209.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylpropane-1-sulfonyl fluoride is sourced from PubChem (CID 115026490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).