N-[6-(2-aminooxyethylamino)-6-oxohexyl]sulfonylhexadecanamide

C24H49N3O5S — CID 88573346

IUPACN-[6-(2-aminooxyethylamino)-6-oxohexyl]sulfonylhexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCCCC(=O)NCCON
InChIInChI=1S/C24H49N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-24(29)27-33(30,31)22-17-14-16-18-23(28)26-20-21-32-25/h2-22,25H2,1H3,(H,26,28)(H,27,29)
InChIKeyNRLGQYFYHIXBJD-UHFFFAOYSA-N
MW491.74 g/mol
LogP4.48
Rot. Bonds24

About N-[6-(2-aminooxyethylamino)-6-oxohexyl]sulfonylhexadecanamide

N-[6-(2-aminooxyethylamino)-6-oxohexyl]sulfonylhexadecanamide (PubChem CID 88573346) has the molecular formula C24H49N3O5S and a molecular weight of 491.74 g/mol. Its IUPAC name is N-[6-(2-aminooxyethylamino)-6-oxohexyl]sulfonylhexadecanamide.

Molecular Properties

Compound NameN-[6-(2-aminooxyethylamino)-6-oxohexyl]sulfonylhexadecanamide
PubChem CID88573346
Molecular FormulaC24H49N3O5S
Molecular Weight491.74 g/mol
Exact Mass491.34
IUPAC NameN-[6-(2-aminooxyethylamino)-6-oxohexyl]sulfonylhexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCCCC(=O)NCCON
InChIInChI=1S/C24H49N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-24(29)27-33(30,31)22-17-14-16-18-23(28)26-20-21-32-25/h2-22,25H2,1H3,(H,26,28)(H,27,29)
InChIKeyNRLGQYFYHIXBJD-UHFFFAOYSA-N
XLogP4.48
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.74
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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N-(3-aminooxypropyl)hexadecanamide
CID 88573336
N-[2-(2-aminooxyethoxy)ethyl]octadecanamide
CID 87339139
N-(4-oxobutylsulfonyl)hexadecanamide
CID 57454992
2-(decanoylamino)ethyl hydrogen sulfate
CID 13257981
18-(butylsulfonylamino)-18-oxooctadecanoic acid
CID 58954514
4-(nonadecanoylamino)butane-1-sulfonic acid
CID 101284415
CID 170842909
CID 170842909
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
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2-(dodecanoylamino)ethyl 2-aminoacetate
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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminooxyethylamino)-6-oxohexyl]sulfonylhexadecanamide?
The IUPAC name of N-[6-(2-aminooxyethylamino)-6-oxohexyl]sulfonylhexadecanamide (CID 88573346) is N-[6-(2-aminooxyethylamino)-6-oxohexyl]sulfonylhexadecanamide.
What is the SMILES notation for N-[6-(2-aminooxyethylamino)-6-oxohexyl]sulfonylhexadecanamide?
The canonical SMILES for N-[6-(2-aminooxyethylamino)-6-oxohexyl]sulfonylhexadecanamide is CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCCCC(=O)NCCON.
What is the InChIKey of N-[6-(2-aminooxyethylamino)-6-oxohexyl]sulfonylhexadecanamide?
The InChIKey is NRLGQYFYHIXBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-24(29)27-33(30,31)22-17-14-16-18-23(28)26-20-21-32-25/h2-22,25H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[6-(2-aminooxyethylamino)-6-oxohexyl]sulfonylhexadecanamide?
N-[6-(2-aminooxyethylamino)-6-oxohexyl]sulfonylhexadecanamide has a molecular weight of 491.74 g/mol, XLogP of 4.48, 24 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminooxyethylamino)-6-oxohexyl]sulfonylhexadecanamide is sourced from PubChem (CID 88573346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).