1,1-difluoro-N-methyl-N-methylsulfonyl-2-oxo-2-piperidin-1-ylethanesulfonamide

C9H16F2N2O5S2 — CID 58240373

IUPAC1,1-difluoro-N-methyl-N-methylsulfonyl-2-oxo-2-piperidin-1-ylethanesulfonamide
SMILESCN(S(C)(=O)=O)S(=O)(=O)C(F)(F)C(=O)N1CCCCC1
InChIInChI=1S/C9H16F2N2O5S2/c1-12(19(2,15)16)20(17,18)9(10,11)8(14)13-6-4-3-5-7-13/h3-7H2,1-2H3
InChIKeyYZGCGYSITZVXNY-UHFFFAOYSA-N
MW334.37 g/mol
LogP-0.19
Rot. Bonds4

About 1,1-difluoro-N-methyl-N-methylsulfonyl-2-oxo-2-piperidin-1-ylethanesulfonamide

1,1-difluoro-N-methyl-N-methylsulfonyl-2-oxo-2-piperidin-1-ylethanesulfonamide (PubChem CID 58240373) has the molecular formula C9H16F2N2O5S2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1,1-difluoro-N-methyl-N-methylsulfonyl-2-oxo-2-piperidin-1-ylethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-methyl-N-methylsulfonyl-2-oxo-2-piperidin-1-ylethanesulfonamide
PubChem CID58240373
Molecular FormulaC9H16F2N2O5S2
Molecular Weight334.37 g/mol
Exact Mass334.05
IUPAC Name1,1-difluoro-N-methyl-N-methylsulfonyl-2-oxo-2-piperidin-1-ylethanesulfonamide
SMILESCN(S(C)(=O)=O)S(=O)(=O)C(F)(F)C(=O)N1CCCCC1
InChIInChI=1S/C9H16F2N2O5S2/c1-12(19(2,15)16)20(17,18)9(10,11)8(14)13-6-4-3-5-7-13/h3-7H2,1-2H3
InChIKeyYZGCGYSITZVXNY-UHFFFAOYSA-N
XLogP-0.19
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-methyl-N-methylsulfonyl-2-oxo-2-piperidin-1-ylethanesulfonamide?
The IUPAC name of 1,1-difluoro-N-methyl-N-methylsulfonyl-2-oxo-2-piperidin-1-ylethanesulfonamide (CID 58240373) is 1,1-difluoro-N-methyl-N-methylsulfonyl-2-oxo-2-piperidin-1-ylethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-methyl-N-methylsulfonyl-2-oxo-2-piperidin-1-ylethanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-methyl-N-methylsulfonyl-2-oxo-2-piperidin-1-ylethanesulfonamide is CN(S(C)(=O)=O)S(=O)(=O)C(F)(F)C(=O)N1CCCCC1.
What is the InChIKey of 1,1-difluoro-N-methyl-N-methylsulfonyl-2-oxo-2-piperidin-1-ylethanesulfonamide?
The InChIKey is YZGCGYSITZVXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O5S2/c1-12(19(2,15)16)20(17,18)9(10,11)8(14)13-6-4-3-5-7-13/h3-7H2,1-2H3.
What are the key properties of 1,1-difluoro-N-methyl-N-methylsulfonyl-2-oxo-2-piperidin-1-ylethanesulfonamide?
1,1-difluoro-N-methyl-N-methylsulfonyl-2-oxo-2-piperidin-1-ylethanesulfonamide has a molecular weight of 334.37 g/mol, XLogP of -0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-methyl-N-methylsulfonyl-2-oxo-2-piperidin-1-ylethanesulfonamide is sourced from PubChem (CID 58240373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).