N-hydroxy-4-[4-(6,6,7,7,7-pentafluoroheptoxy)piperidin-1-yl]sulfonyloxane-4-carboxamide

C18H29F5N2O6S — CID 21069077

IUPACN-hydroxy-4-[4-(6,6,7,7,7-pentafluoroheptoxy)piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(OCCCCCC(F)(F)C(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C18H29F5N2O6S/c19-17(20,18(21,22)23)6-2-1-3-11-31-14-4-9-25(10-5-14)32(28,29)16(15(26)24-27)7-12-30-13-8-16/h14,27H,1-13H2,(H,24,26)
InChIKeyNNYXECKZFOQSCB-UHFFFAOYSA-N
MW496.50 g/mol
LogP2.61
Rot. Bonds10

About N-hydroxy-4-[4-(6,6,7,7,7-pentafluoroheptoxy)piperidin-1-yl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-(6,6,7,7,7-pentafluoroheptoxy)piperidin-1-yl]sulfonyloxane-4-carboxamide (PubChem CID 21069077) has the molecular formula C18H29F5N2O6S and a molecular weight of 496.50 g/mol. Its IUPAC name is N-hydroxy-4-[4-(6,6,7,7,7-pentafluoroheptoxy)piperidin-1-yl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-(6,6,7,7,7-pentafluoroheptoxy)piperidin-1-yl]sulfonyloxane-4-carboxamide
PubChem CID21069077
Molecular FormulaC18H29F5N2O6S
Molecular Weight496.50 g/mol
Exact Mass496.17
IUPAC NameN-hydroxy-4-[4-(6,6,7,7,7-pentafluoroheptoxy)piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(OCCCCCC(F)(F)C(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C18H29F5N2O6S/c19-17(20,18(21,22)23)6-2-1-3-11-31-14-4-9-25(10-5-14)32(28,29)16(15(26)24-27)7-12-30-13-8-16/h14,27H,1-13H2,(H,24,26)
InChIKeyNNYXECKZFOQSCB-UHFFFAOYSA-N
XLogP2.61
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.50
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-(6,6,7,7,7-pentafluoroheptoxy)piperidin-1-yl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-(6,6,7,7,7-pentafluoroheptoxy)piperidin-1-yl]sulfonyloxane-4-carboxamide (CID 21069077) is N-hydroxy-4-[4-(6,6,7,7,7-pentafluoroheptoxy)piperidin-1-yl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-(6,6,7,7,7-pentafluoroheptoxy)piperidin-1-yl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-(6,6,7,7,7-pentafluoroheptoxy)piperidin-1-yl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)N2CCC(OCCCCCC(F)(F)C(F)(F)F)CC2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-(6,6,7,7,7-pentafluoroheptoxy)piperidin-1-yl]sulfonyloxane-4-carboxamide?
The InChIKey is NNYXECKZFOQSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F5N2O6S/c19-17(20,18(21,22)23)6-2-1-3-11-31-14-4-9-25(10-5-14)32(28,29)16(15(26)24-27)7-12-30-13-8-16/h14,27H,1-13H2,(H,24,26).
What are the key properties of N-hydroxy-4-[4-(6,6,7,7,7-pentafluoroheptoxy)piperidin-1-yl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-(6,6,7,7,7-pentafluoroheptoxy)piperidin-1-yl]sulfonyloxane-4-carboxamide has a molecular weight of 496.50 g/mol, XLogP of 2.61, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-(6,6,7,7,7-pentafluoroheptoxy)piperidin-1-yl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 21069077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).