piperidine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride

C6H12F4N2O4S2 — CID 118659624

IUPACpiperidine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
SMILESC1CCNCC1.O=S(=O)(F)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H11N.CHF4NO4S2/c1-2-4-6-5-3-1;2-1(3,4)11(7,8)6-12(5,9)10/h6H,1-5H2;6H
InChIKeyNJAILYWZAMGFSW-UHFFFAOYSA-N
MW316.30 g/mol
LogP0.40
Rot. Bonds2

About piperidine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride

piperidine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride (PubChem CID 118659624) has the molecular formula C6H12F4N2O4S2 and a molecular weight of 316.30 g/mol. Its IUPAC name is piperidine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride.

Molecular Properties

Compound Namepiperidine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
PubChem CID118659624
Molecular FormulaC6H12F4N2O4S2
Molecular Weight316.30 g/mol
Exact Mass316.02
IUPAC Namepiperidine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
SMILESC1CCNCC1.O=S(=O)(F)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H11N.CHF4NO4S2/c1-2-4-6-5-3-1;2-1(3,4)11(7,8)6-12(5,9)10/h6H,1-5H2;6H
InChIKeyNJAILYWZAMGFSW-UHFFFAOYSA-N
XLogP0.40
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
The IUPAC name of piperidine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride (CID 118659624) is piperidine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride.
What is the SMILES notation for piperidine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
The canonical SMILES for piperidine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride is C1CCNCC1.O=S(=O)(F)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of piperidine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
The InChIKey is NJAILYWZAMGFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.CHF4NO4S2/c1-2-4-6-5-3-1;2-1(3,4)11(7,8)6-12(5,9)10/h6H,1-5H2;6H.
What are the key properties of piperidine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
piperidine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride has a molecular weight of 316.30 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride is sourced from PubChem (CID 118659624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).