N-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxymethyl)piperidin-1-yl]sulfonyloxane-4-carboxamide

C15H24F4N2O6S — CID 90751808

IUPACN-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxymethyl)piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(O)S(=O)(=O)N1CCC(COCC(F)(F)C(F)F)CC1
InChIInChI=1S/C15H24F4N2O6S/c16-14(17)15(18,19)10-27-9-11-1-5-20(6-2-11)28(24,25)21(23)13(22)12-3-7-26-8-4-12/h11-12,14,23H,1-10H2
InChIKeyRRAUCTWQZABPRJ-UHFFFAOYSA-N
MW436.42 g/mol
LogP1.50
Rot. Bonds8

About N-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxymethyl)piperidin-1-yl]sulfonyloxane-4-carboxamide

N-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxymethyl)piperidin-1-yl]sulfonyloxane-4-carboxamide (PubChem CID 90751808) has the molecular formula C15H24F4N2O6S and a molecular weight of 436.42 g/mol. Its IUPAC name is N-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxymethyl)piperidin-1-yl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxymethyl)piperidin-1-yl]sulfonyloxane-4-carboxamide
PubChem CID90751808
Molecular FormulaC15H24F4N2O6S
Molecular Weight436.42 g/mol
Exact Mass436.13
IUPAC NameN-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxymethyl)piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(O)S(=O)(=O)N1CCC(COCC(F)(F)C(F)F)CC1
InChIInChI=1S/C15H24F4N2O6S/c16-14(17)15(18,19)10-27-9-11-1-5-20(6-2-11)28(24,25)21(23)13(22)12-3-7-26-8-4-12/h11-12,14,23H,1-10H2
InChIKeyRRAUCTWQZABPRJ-UHFFFAOYSA-N
XLogP1.50
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxymethyl)piperidin-1-yl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxymethyl)piperidin-1-yl]sulfonyloxane-4-carboxamide (CID 90751808) is N-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxymethyl)piperidin-1-yl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxymethyl)piperidin-1-yl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxymethyl)piperidin-1-yl]sulfonyloxane-4-carboxamide is O=C(C1CCOCC1)N(O)S(=O)(=O)N1CCC(COCC(F)(F)C(F)F)CC1.
What is the InChIKey of N-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxymethyl)piperidin-1-yl]sulfonyloxane-4-carboxamide?
The InChIKey is RRAUCTWQZABPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F4N2O6S/c16-14(17)15(18,19)10-27-9-11-1-5-20(6-2-11)28(24,25)21(23)13(22)12-3-7-26-8-4-12/h11-12,14,23H,1-10H2.
What are the key properties of N-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxymethyl)piperidin-1-yl]sulfonyloxane-4-carboxamide?
N-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxymethyl)piperidin-1-yl]sulfonyloxane-4-carboxamide has a molecular weight of 436.42 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxymethyl)piperidin-1-yl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 90751808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).