4-cyanopiperidine-1-sulfonyl fluoride

C6H9FN2O2S — CID 135564439

IUPAC4-cyanopiperidine-1-sulfonyl fluoride
SMILESN#CC1CCN(S(=O)(=O)F)CC1
InChIInChI=1S/C6H9FN2O2S/c7-12(10,11)9-3-1-6(5-8)2-4-9/h6H,1-4H2
InChIKeyMTNGNIGTDYBCDW-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.44
Rot. Bonds1

About 4-cyanopiperidine-1-sulfonyl fluoride

4-cyanopiperidine-1-sulfonyl fluoride (PubChem CID 135564439) has the molecular formula C6H9FN2O2S and a molecular weight of 192.21 g/mol. Its IUPAC name is 4-cyanopiperidine-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-cyanopiperidine-1-sulfonyl fluoride
PubChem CID135564439
Molecular FormulaC6H9FN2O2S
Molecular Weight192.21 g/mol
Exact Mass192.04
IUPAC Name4-cyanopiperidine-1-sulfonyl fluoride
SMILESN#CC1CCN(S(=O)(=O)F)CC1
InChIInChI=1S/C6H9FN2O2S/c7-12(10,11)9-3-1-6(5-8)2-4-9/h6H,1-4H2
InChIKeyMTNGNIGTDYBCDW-UHFFFAOYSA-N
XLogP0.44
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyanopiperidine-1-sulfonyl fluoride?
The IUPAC name of 4-cyanopiperidine-1-sulfonyl fluoride (CID 135564439) is 4-cyanopiperidine-1-sulfonyl fluoride.
What is the SMILES notation for 4-cyanopiperidine-1-sulfonyl fluoride?
The canonical SMILES for 4-cyanopiperidine-1-sulfonyl fluoride is N#CC1CCN(S(=O)(=O)F)CC1.
What is the InChIKey of 4-cyanopiperidine-1-sulfonyl fluoride?
The InChIKey is MTNGNIGTDYBCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O2S/c7-12(10,11)9-3-1-6(5-8)2-4-9/h6H,1-4H2.
What are the key properties of 4-cyanopiperidine-1-sulfonyl fluoride?
4-cyanopiperidine-1-sulfonyl fluoride has a molecular weight of 192.21 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyanopiperidine-1-sulfonyl fluoride is sourced from PubChem (CID 135564439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).