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

C19H33F3N2O6S — CID 21068789

IUPACN-hydroxy-4-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(CCCCOCCCC(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C19H33F3N2O6S/c20-19(21,22)7-3-13-29-12-2-1-4-16-5-10-24(11-6-16)31(27,28)18(17(25)23-26)8-14-30-15-9-18/h16,26H,1-15H2,(H,23,25)
InChIKeyWYSBBXIKIPWTLP-UHFFFAOYSA-N
MW474.54 g/mol
LogP2.61
Rot. Bonds11

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

N-hydroxy-4-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (PubChem CID 21068789) has the molecular formula C19H33F3N2O6S and a molecular weight of 474.54 g/mol. Its IUPAC name is N-hydroxy-4-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
PubChem CID21068789
Molecular FormulaC19H33F3N2O6S
Molecular Weight474.54 g/mol
Exact Mass474.20
IUPAC NameN-hydroxy-4-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(CCCCOCCCC(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C19H33F3N2O6S/c20-19(21,22)7-3-13-29-12-2-1-4-16-5-10-24(11-6-16)31(27,28)18(17(25)23-26)8-14-30-15-9-18/h16,26H,1-15H2,(H,23,25)
InChIKeyWYSBBXIKIPWTLP-UHFFFAOYSA-N
XLogP2.61
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 52.61
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (CID 21068789) is N-hydroxy-4-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)N2CCC(CCCCOCCCC(F)(F)F)CC2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The InChIKey is WYSBBXIKIPWTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33F3N2O6S/c20-19(21,22)7-3-13-29-12-2-1-4-16-5-10-24(11-6-16)31(27,28)18(17(25)23-26)8-14-30-15-9-18/h16,26H,1-15H2,(H,23,25).
What are the key properties of N-hydroxy-4-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide has a molecular weight of 474.54 g/mol, XLogP of 2.61, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 21068789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).