N-hydroxy-N-(4-octylpiperidin-1-yl)sulfonyloxane-4-carboxamide

C19H36N2O5S — CID 90911449

IUPACN-hydroxy-N-(4-octylpiperidin-1-yl)sulfonyloxane-4-carboxamide
SMILESCCCCCCCCC1CCN(S(=O)(=O)N(O)C(=O)C2CCOCC2)CC1
InChIInChI=1S/C19H36N2O5S/c1-2-3-4-5-6-7-8-17-9-13-20(14-10-17)27(24,25)21(23)19(22)18-11-15-26-16-12-18/h17-18,23H,2-16H2,1H3
InChIKeyURVMOBYXIWRSTP-UHFFFAOYSA-N
MW404.57 g/mol
LogP3.34
Rot. Bonds10

About N-hydroxy-N-(4-octylpiperidin-1-yl)sulfonyloxane-4-carboxamide

N-hydroxy-N-(4-octylpiperidin-1-yl)sulfonyloxane-4-carboxamide (PubChem CID 90911449) has the molecular formula C19H36N2O5S and a molecular weight of 404.57 g/mol. Its IUPAC name is N-hydroxy-N-(4-octylpiperidin-1-yl)sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-N-(4-octylpiperidin-1-yl)sulfonyloxane-4-carboxamide
PubChem CID90911449
Molecular FormulaC19H36N2O5S
Molecular Weight404.57 g/mol
Exact Mass404.23
IUPAC NameN-hydroxy-N-(4-octylpiperidin-1-yl)sulfonyloxane-4-carboxamide
SMILESCCCCCCCCC1CCN(S(=O)(=O)N(O)C(=O)C2CCOCC2)CC1
InChIInChI=1S/C19H36N2O5S/c1-2-3-4-5-6-7-8-17-9-13-20(14-10-17)27(24,25)21(23)19(22)18-11-15-26-16-12-18/h17-18,23H,2-16H2,1H3
InChIKeyURVMOBYXIWRSTP-UHFFFAOYSA-N
XLogP3.34
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.57
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 91513512
N-hydroxy-N-[4-(2,2,3,3-tetrafluoropropoxymethyl)piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 90751808
1-(oxan-4-yl)dodecan-5-one
CID 114192976
1-(4-heptylpiperidin-1-yl)ethanone
CID 155216374
1-(oxan-4-yl)undecan-5-ol
CID 114191725
1-[methyl-[2-(oxan-4-yl)ethyl]sulfamoyl]piperidine-4-carboxylic acid
CID 146134201
4-butyl-1-undecylpiperidine;methanesulfonic acid
CID 175583862
4-butyl-1-hexylpiperidine;methanesulfonic acid
CID 175583852
1-(dibutylsulfamoyl)piperidine-4-carboxylic acid
CID 60857771
N-ethyl-1-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxamide
CID 94174849
methanesulfonic acid;4-propyl-1-undecylpiperidine
CID 175583605
4-(4-decylpiperidin-1-yl)benzoic acid
CID 86127158

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-(4-octylpiperidin-1-yl)sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-N-(4-octylpiperidin-1-yl)sulfonyloxane-4-carboxamide (CID 90911449) is N-hydroxy-N-(4-octylpiperidin-1-yl)sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-N-(4-octylpiperidin-1-yl)sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-N-(4-octylpiperidin-1-yl)sulfonyloxane-4-carboxamide is CCCCCCCCC1CCN(S(=O)(=O)N(O)C(=O)C2CCOCC2)CC1.
What is the InChIKey of N-hydroxy-N-(4-octylpiperidin-1-yl)sulfonyloxane-4-carboxamide?
The InChIKey is URVMOBYXIWRSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O5S/c1-2-3-4-5-6-7-8-17-9-13-20(14-10-17)27(24,25)21(23)19(22)18-11-15-26-16-12-18/h17-18,23H,2-16H2,1H3.
What are the key properties of N-hydroxy-N-(4-octylpiperidin-1-yl)sulfonyloxane-4-carboxamide?
N-hydroxy-N-(4-octylpiperidin-1-yl)sulfonyloxane-4-carboxamide has a molecular weight of 404.57 g/mol, XLogP of 3.34, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-(4-octylpiperidin-1-yl)sulfonyloxane-4-carboxamide is sourced from PubChem (CID 90911449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).