1,1-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylmethanesulfonamide

C7H14F2N2O6S3 — CID 88854852

IUPAC1,1-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)NS(=O)(=O)C(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C7H14F2N2O6S3/c1-18(12,13)10-19(14,15)7(8,9)20(16,17)11-5-3-2-4-6-11/h10H,2-6H2,1H3
InChIKeyNAPZXAQNUNCCKP-UHFFFAOYSA-N
MW356.39 g/mol
LogP-0.77
Rot. Bonds5

About 1,1-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylmethanesulfonamide

1,1-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylmethanesulfonamide (PubChem CID 88854852) has the molecular formula C7H14F2N2O6S3 and a molecular weight of 356.39 g/mol. Its IUPAC name is 1,1-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylmethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylmethanesulfonamide
PubChem CID88854852
Molecular FormulaC7H14F2N2O6S3
Molecular Weight356.39 g/mol
Exact Mass356.00
IUPAC Name1,1-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)NS(=O)(=O)C(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C7H14F2N2O6S3/c1-18(12,13)10-19(14,15)7(8,9)20(16,17)11-5-3-2-4-6-11/h10H,2-6H2,1H3
InChIKeyNAPZXAQNUNCCKP-UHFFFAOYSA-N
XLogP-0.77
TPSA117.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Butyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 12184311
1-Methyl-1-propylpiperidin-1-ium Bis((trifluoromethyl)sulfonyl)amide
CID 16726630
1-(Trifluoromethylsulfonyl)piperidine
CID 11085234
1-Hexyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)amide
CID 129846499
1-Ethyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 129858872
N-pentyl-N-ethylpiperidinium-bis(trifluoromethylsulfonyl)imide
CID 134716464
1,1,1-trifluoro-N-(piperidin-1-ylsulfonylmethylsulfonyl)methanesulfonamide
CID 57896051
1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 57981555
1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonyl-N-(trifluoromethyl)propane-1-sulfonamide
CID 58031149
1,1,2,2,3,3-hexafluoro-N-methyl-3-piperidin-1-ylsulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 58240456
2,2-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylethenesulfonamide
CID 58291398
1-(Difluoromethylsulfonyl)piperidine
CID 58435991

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylmethanesulfonamide?
The IUPAC name of 1,1-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylmethanesulfonamide (CID 88854852) is 1,1-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylmethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylmethanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylmethanesulfonamide is CS(=O)(=O)NS(=O)(=O)C(F)(F)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1,1-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylmethanesulfonamide?
The InChIKey is NAPZXAQNUNCCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O6S3/c1-18(12,13)10-19(14,15)7(8,9)20(16,17)11-5-3-2-4-6-11/h10H,2-6H2,1H3.
What are the key properties of 1,1-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylmethanesulfonamide?
1,1-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylmethanesulfonamide has a molecular weight of 356.39 g/mol, XLogP of -0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylmethanesulfonamide is sourced from PubChem (CID 88854852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).