N-pentylsulfonylundecanamide

C16H33NO3S — CID 87719410

IUPACN-pentylsulfonylundecanamide
SMILESCCCCCCCCCCC(=O)NS(=O)(=O)CCCCC
InChIInChI=1S/C16H33NO3S/c1-3-5-7-8-9-10-11-12-14-16(18)17-21(19,20)15-13-6-4-2/h3-15H2,1-2H3,(H,17,18)
InChIKeyCCUORTXJFVAWCP-UHFFFAOYSA-N
MW319.51 g/mol
LogP4.15
Rot. Bonds14

About N-pentylsulfonylundecanamide

N-pentylsulfonylundecanamide (PubChem CID 87719410) has the molecular formula C16H33NO3S and a molecular weight of 319.51 g/mol. Its IUPAC name is N-pentylsulfonylundecanamide.

Molecular Properties

Compound NameN-pentylsulfonylundecanamide
PubChem CID87719410
Molecular FormulaC16H33NO3S
Molecular Weight319.51 g/mol
Exact Mass319.22
IUPAC NameN-pentylsulfonylundecanamide
SMILESCCCCCCCCCCC(=O)NS(=O)(=O)CCCCC
InChIInChI=1S/C16H33NO3S/c1-3-5-7-8-9-10-11-12-14-16(18)17-21(19,20)15-13-6-4-2/h3-15H2,1-2H3,(H,17,18)
InChIKeyCCUORTXJFVAWCP-UHFFFAOYSA-N
XLogP4.15
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butylsulfonylhexadecanamide
CID 58954596
N-(4-oxobutylsulfonyl)hexadecanamide
CID 57454992
18-(butylsulfonylamino)-18-oxooctadecanoic acid
CID 58954514
N-[3-(butanoylsulfamoyl)propyl]hexanamide
CID 170966234
N-[6-(2-aminooxyethylamino)-6-oxohexyl]sulfonylhexadecanamide
CID 88573346
N-nonylsulfonylacetamide
CID 87711188
18-oxo-18-(4-oxopentylsulfonylamino)octadecanoic acid
CID 161187387
N-[6-[4-(2-methoxyethyl)piperidin-1-yl]-6-oxohexyl]sulfonylhexadecanamide
CID 90441673
4-(nonadecanoylamino)butane-1-sulfonic acid
CID 101284415
N-decanoyldecanamide
CID 87914075
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
methane;2-[[(Z)-octadec-9-enoyl]sulfamoyl]ethylazanium;2,2,2-trifluoroacetate
CID 167616549

Frequently Asked Questions

What is the IUPAC name of N-pentylsulfonylundecanamide?
The IUPAC name of N-pentylsulfonylundecanamide (CID 87719410) is N-pentylsulfonylundecanamide.
What is the SMILES notation for N-pentylsulfonylundecanamide?
The canonical SMILES for N-pentylsulfonylundecanamide is CCCCCCCCCCC(=O)NS(=O)(=O)CCCCC.
What is the InChIKey of N-pentylsulfonylundecanamide?
The InChIKey is CCUORTXJFVAWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3S/c1-3-5-7-8-9-10-11-12-14-16(18)17-21(19,20)15-13-6-4-2/h3-15H2,1-2H3,(H,17,18).
What are the key properties of N-pentylsulfonylundecanamide?
N-pentylsulfonylundecanamide has a molecular weight of 319.51 g/mol, XLogP of 4.15, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylsulfonylundecanamide is sourced from PubChem (CID 87719410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).