1,1-difluoro-1-piperidin-1-ylsulfinyl-N-(trifluoromethylsulfinyl)methanesulfonamide

C7H11F5N2O4S3 — CID 88935194

IUPAC1,1-difluoro-1-piperidin-1-ylsulfinyl-N-(trifluoromethylsulfinyl)methanesulfonamide
SMILESO=S(NS(=O)(=O)C(F)(F)S(=O)N1CCCCC1)C(F)(F)F
InChIInChI=1S/C7H11F5N2O4S3/c8-6(9,10)19(15)13-21(17,18)7(11,12)20(16)14-4-2-1-3-5-14/h13H,1-5H2
InChIKeyJVKJNAIIZCJPDE-UHFFFAOYSA-N
MW378.37 g/mol
LogP0.79
Rot. Bonds5

About 1,1-difluoro-1-piperidin-1-ylsulfinyl-N-(trifluoromethylsulfinyl)methanesulfonamide

1,1-difluoro-1-piperidin-1-ylsulfinyl-N-(trifluoromethylsulfinyl)methanesulfonamide (PubChem CID 88935194) has the molecular formula C7H11F5N2O4S3 and a molecular weight of 378.37 g/mol. Its IUPAC name is 1,1-difluoro-1-piperidin-1-ylsulfinyl-N-(trifluoromethylsulfinyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-1-piperidin-1-ylsulfinyl-N-(trifluoromethylsulfinyl)methanesulfonamide
PubChem CID88935194
Molecular FormulaC7H11F5N2O4S3
Molecular Weight378.37 g/mol
Exact Mass377.98
IUPAC Name1,1-difluoro-1-piperidin-1-ylsulfinyl-N-(trifluoromethylsulfinyl)methanesulfonamide
SMILESO=S(NS(=O)(=O)C(F)(F)S(=O)N1CCCCC1)C(F)(F)F
InChIInChI=1S/C7H11F5N2O4S3/c8-6(9,10)19(15)13-21(17,18)7(11,12)20(16)14-4-2-1-3-5-14/h13H,1-5H2
InChIKeyJVKJNAIIZCJPDE-UHFFFAOYSA-N
XLogP0.79
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-piperidin-1-ylsulfinyl-N-(trifluoromethylsulfinyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-1-piperidin-1-ylsulfinyl-N-(trifluoromethylsulfinyl)methanesulfonamide (CID 88935194) is 1,1-difluoro-1-piperidin-1-ylsulfinyl-N-(trifluoromethylsulfinyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-1-piperidin-1-ylsulfinyl-N-(trifluoromethylsulfinyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-1-piperidin-1-ylsulfinyl-N-(trifluoromethylsulfinyl)methanesulfonamide is O=S(NS(=O)(=O)C(F)(F)S(=O)N1CCCCC1)C(F)(F)F.
What is the InChIKey of 1,1-difluoro-1-piperidin-1-ylsulfinyl-N-(trifluoromethylsulfinyl)methanesulfonamide?
The InChIKey is JVKJNAIIZCJPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5N2O4S3/c8-6(9,10)19(15)13-21(17,18)7(11,12)20(16)14-4-2-1-3-5-14/h13H,1-5H2.
What are the key properties of 1,1-difluoro-1-piperidin-1-ylsulfinyl-N-(trifluoromethylsulfinyl)methanesulfonamide?
1,1-difluoro-1-piperidin-1-ylsulfinyl-N-(trifluoromethylsulfinyl)methanesulfonamide has a molecular weight of 378.37 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-piperidin-1-ylsulfinyl-N-(trifluoromethylsulfinyl)methanesulfonamide is sourced from PubChem (CID 88935194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).