cyclopentyl N-hexadecanoylsulfamate

C21H41NO4S — CID 66559619

IUPACcyclopentyl N-hexadecanoylsulfamate
SMILESCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)OC1CCCC1
InChIInChI=1S/C21H41NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-21(23)22-27(24,25)26-20-17-15-16-18-20/h20H,2-19H2,1H3,(H,22,23)
InChIKeyWDJWRKZURHNSCY-UHFFFAOYSA-N
MW403.63 g/mol
LogP5.79
Rot. Bonds17

About cyclopentyl N-hexadecanoylsulfamate

cyclopentyl N-hexadecanoylsulfamate (PubChem CID 66559619) has the molecular formula C21H41NO4S and a molecular weight of 403.63 g/mol. Its IUPAC name is cyclopentyl N-hexadecanoylsulfamate.

Molecular Properties

Compound Namecyclopentyl N-hexadecanoylsulfamate
PubChem CID66559619
Molecular FormulaC21H41NO4S
Molecular Weight403.63 g/mol
Exact Mass403.28
IUPAC Namecyclopentyl N-hexadecanoylsulfamate
SMILESCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)OC1CCCC1
InChIInChI=1S/C21H41NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-21(23)22-27(24,25)26-20-17-15-16-18-20/h20H,2-19H2,1H3,(H,22,23)
InChIKeyWDJWRKZURHNSCY-UHFFFAOYSA-N
XLogP5.79
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.63
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
N-[2-(dodecanoylamino)cyclohexyl]dodecanamide
CID 10299379
N-(cyclohexylmethylideneamino)nonanamide
CID 4285441
N-[(Z)-cyclohexylmethylideneamino]octanamide
CID 6069457
N-(cyclohexylcarbamothioyl)octanamide
CID 4958923
N-(cyclohexylmethylideneamino)dodecanamide
CID 5072532
cyclohexyl 2-ethylidenedodecanoate
CID 174585832
N-butylsulfonylhexadecanamide
CID 58954596
N-pentylsulfonylundecanamide
CID 87719410
cyclopentanecarbaldehyde;methyl heptanoate
CID 143522930
1-cyclohexyldecan-1-one
CID 63409715

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-hexadecanoylsulfamate?
The IUPAC name of cyclopentyl N-hexadecanoylsulfamate (CID 66559619) is cyclopentyl N-hexadecanoylsulfamate.
What is the SMILES notation for cyclopentyl N-hexadecanoylsulfamate?
The canonical SMILES for cyclopentyl N-hexadecanoylsulfamate is CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl N-hexadecanoylsulfamate?
The InChIKey is WDJWRKZURHNSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-21(23)22-27(24,25)26-20-17-15-16-18-20/h20H,2-19H2,1H3,(H,22,23).
What are the key properties of cyclopentyl N-hexadecanoylsulfamate?
cyclopentyl N-hexadecanoylsulfamate has a molecular weight of 403.63 g/mol, XLogP of 5.79, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-hexadecanoylsulfamate is sourced from PubChem (CID 66559619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).