N-hydroxy-N-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide

C19H33F3N2O6S — CID 91513512

IUPACN-hydroxy-N-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(O)S(=O)(=O)N1CCC(CCCCOCCCC(F)(F)F)CC1
InChIInChI=1S/C19H33F3N2O6S/c20-19(21,22)9-3-13-29-12-2-1-4-16-5-10-23(11-6-16)31(27,28)24(26)18(25)17-7-14-30-15-8-17/h16-17,26H,1-15H2
InChIKeyOUNDBIPPOUTBJL-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.12
Rot. Bonds11

About N-hydroxy-N-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide

N-hydroxy-N-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (PubChem CID 91513512) has the molecular formula C19H33F3N2O6S and a molecular weight of 474.54 g/mol. Its IUPAC name is N-hydroxy-N-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-N-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
PubChem CID91513512
Molecular FormulaC19H33F3N2O6S
Molecular Weight474.54 g/mol
Exact Mass474.20
IUPAC NameN-hydroxy-N-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(O)S(=O)(=O)N1CCC(CCCCOCCCC(F)(F)F)CC1
InChIInChI=1S/C19H33F3N2O6S/c20-19(21,22)9-3-13-29-12-2-1-4-16-5-10-23(11-6-16)31(27,28)24(26)18(25)17-7-14-30-15-8-17/h16-17,26H,1-15H2
InChIKeyOUNDBIPPOUTBJL-UHFFFAOYSA-N
XLogP3.12
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N-(4-octylpiperidin-1-yl)sulfonyloxane-4-carboxamide
CID 90911449
N-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxymethyl)piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 90751808
N-hydroxy-4-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 21068789
tert-butyl 4-[4-[2-(4,4,4-trifluorobutoxy)ethyl]piperidin-1-yl]sulfonyloxane-4-carboxylate
CID 21069251
tert-butyl 4-[4-[5-(2,2,2-trifluoroethoxy)pentyl]piperidin-1-yl]sulfonyloxane-4-carboxylate
CID 21069236
N-hydroxy-N-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonyloxane-4-carboxamide
CID 90908864
1-[methyl-[2-(oxan-4-yl)ethyl]sulfamoyl]piperidine-4-carboxylic acid
CID 146134201
1,1,1-trifluoro-8-(oxan-4-yl)octan-4-one
CID 114191929
8-[2-(oxan-4-yl)ethoxy]octanamide
CID 175975617
N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pentyl]piperidin-1-yl]sulfinyloxane-4-carboxamide
CID 142825223
4-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide
CID 115522645
1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane
CID 22483429

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-N-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (CID 91513512) is N-hydroxy-N-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-N-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-N-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is O=C(C1CCOCC1)N(O)S(=O)(=O)N1CCC(CCCCOCCCC(F)(F)F)CC1.
What is the InChIKey of N-hydroxy-N-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The InChIKey is OUNDBIPPOUTBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33F3N2O6S/c20-19(21,22)9-3-13-29-12-2-1-4-16-5-10-23(11-6-16)31(27,28)24(26)18(25)17-7-14-30-15-8-17/h16-17,26H,1-15H2.
What are the key properties of N-hydroxy-N-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
N-hydroxy-N-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide has a molecular weight of 474.54 g/mol, XLogP of 3.12, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 91513512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).