(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-methylsulfonylazanide

C9H13F6N2O6S3- — CID 59801422

IUPAC(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-methylsulfonylazanide
SMILESCS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C9H13F6N2O6S3/c1-24(18,19)16-25(20,21)8(12,13)7(10,11)9(14,15)26(22,23)17-5-3-2-4-6-17/h2-6H2,1H3/q-1
InChIKeyLJPWIDRIEDEOLP-UHFFFAOYSA-N
MW455.40 g/mol
LogP1.29
Rot. Bonds7

About (1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-methylsulfonylazanide

(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-methylsulfonylazanide (PubChem CID 59801422) has the molecular formula C9H13F6N2O6S3- and a molecular weight of 455.40 g/mol. Its IUPAC name is (1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-methylsulfonylazanide.

Molecular Properties

Compound Name(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-methylsulfonylazanide
PubChem CID59801422
Molecular FormulaC9H13F6N2O6S3-
Molecular Weight455.40 g/mol
Exact Mass454.98
IUPAC Name(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-methylsulfonylazanide
SMILESCS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C9H13F6N2O6S3/c1-24(18,19)16-25(20,21)8(12,13)7(10,11)9(14,15)26(22,23)17-5-3-2-4-6-17/h2-6H2,1H3/q-1
InChIKeyLJPWIDRIEDEOLP-UHFFFAOYSA-N
XLogP1.29
TPSA119.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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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-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
4-piperidin-1-ylbutane-1-sulfonic acid;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 56973024
1,1,2,2,3,3-Hexafluoro-3-(piperidin-1-ylsulfonyl)propane-1-sulfonic acid
CID 23144941
1-[3,3-Difluoro-3-(trioxidanylsulfanyl)propyl]sulfonylpiperidine
CID 57616841
1,1,1-trifluoro-N-(piperidin-1-ylsulfonylmethylsulfonyl)methanesulfonamide
CID 57896051
(1,1,2,2,3,3-Hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide
CID 57981554
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

Frequently Asked Questions

What is the IUPAC name of (1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-methylsulfonylazanide?
The IUPAC name of (1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-methylsulfonylazanide (CID 59801422) is (1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-methylsulfonylazanide.
What is the SMILES notation for (1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-methylsulfonylazanide?
The canonical SMILES for (1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-methylsulfonylazanide is CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.
What is the InChIKey of (1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-methylsulfonylazanide?
The InChIKey is LJPWIDRIEDEOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6N2O6S3/c1-24(18,19)16-25(20,21)8(12,13)7(10,11)9(14,15)26(22,23)17-5-3-2-4-6-17/h2-6H2,1H3/q-1.
What are the key properties of (1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-methylsulfonylazanide?
(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-methylsulfonylazanide has a molecular weight of 455.40 g/mol, XLogP of 1.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-methylsulfonylazanide is sourced from PubChem (CID 59801422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).