2-piperazin-1-ylethanesulfonyl fluoride

C6H13FN2O2S — CID 158458154

IUPAC2-piperazin-1-ylethanesulfonyl fluoride
SMILESO=S(=O)(F)CCN1CCNCC1
InChIInChI=1S/C6H13FN2O2S/c7-12(10,11)6-5-9-3-1-8-2-4-9/h8H,1-6H2
InChIKeyHEVCDQXBGIAROV-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.81
Rot. Bonds3

About 2-piperazin-1-ylethanesulfonyl fluoride

2-piperazin-1-ylethanesulfonyl fluoride (PubChem CID 158458154) has the molecular formula C6H13FN2O2S and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-piperazin-1-ylethanesulfonyl fluoride.

Molecular Properties

Compound Name2-piperazin-1-ylethanesulfonyl fluoride
PubChem CID158458154
Molecular FormulaC6H13FN2O2S
Molecular Weight196.25 g/mol
Exact Mass196.07
IUPAC Name2-piperazin-1-ylethanesulfonyl fluoride
SMILESO=S(=O)(F)CCN1CCNCC1
InChIInChI=1S/C6H13FN2O2S/c7-12(10,11)6-5-9-3-1-8-2-4-9/h8H,1-6H2
InChIKeyHEVCDQXBGIAROV-UHFFFAOYSA-N
XLogP-0.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-piperazin-1-ylethanesulfonyl fluoride 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 2-piperazin-1-ylethanesulfonyl fluoride?
The IUPAC name of 2-piperazin-1-ylethanesulfonyl fluoride (CID 158458154) is 2-piperazin-1-ylethanesulfonyl fluoride.
What is the SMILES notation for 2-piperazin-1-ylethanesulfonyl fluoride?
The canonical SMILES for 2-piperazin-1-ylethanesulfonyl fluoride is O=S(=O)(F)CCN1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylethanesulfonyl fluoride?
The InChIKey is HEVCDQXBGIAROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2O2S/c7-12(10,11)6-5-9-3-1-8-2-4-9/h8H,1-6H2.
What are the key properties of 2-piperazin-1-ylethanesulfonyl fluoride?
2-piperazin-1-ylethanesulfonyl fluoride has a molecular weight of 196.25 g/mol, XLogP of -0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylethanesulfonyl fluoride is sourced from PubChem (CID 158458154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).