N-(8-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide

C16H33FN2O2S — CID 89003950

IUPACN-(8-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide
SMILESNCCCCCCCCN(CCF)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C16H33FN2O2S/c17-12-15-19(14-9-4-2-1-3-8-13-18)22(20,21)16-10-6-5-7-11-16/h16H,1-15,18H2
InChIKeyVJIOLPRNBUIBSW-UHFFFAOYSA-N
MW336.52 g/mol
LogP3.22
Rot. Bonds12

About N-(8-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide

N-(8-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide (PubChem CID 89003950) has the molecular formula C16H33FN2O2S and a molecular weight of 336.52 g/mol. Its IUPAC name is N-(8-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(8-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide
PubChem CID89003950
Molecular FormulaC16H33FN2O2S
Molecular Weight336.52 g/mol
Exact Mass336.22
IUPAC NameN-(8-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide
SMILESNCCCCCCCCN(CCF)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C16H33FN2O2S/c17-12-15-19(14-9-4-2-1-3-8-13-18)22(20,21)16-10-6-5-7-11-16/h16H,1-15,18H2
InChIKeyVJIOLPRNBUIBSW-UHFFFAOYSA-N
XLogP3.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 53.22
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-cyclohexyl-2-(octylamino)ethanesulfonamide
CID 45480036
2-(cyclohexylamino)-N-octylethanesulfonamide
CID 45480035
2-(butylamino)-N-octylethanesulfonamide
CID 45480040
N-octyl-2-(octylamino)ethanesulfonamide
CID 45480037
N-(6-aminohexyl)-N-(2-fluoroethyl)cyclohexanesulfonamide
CID 89003781
N-(7-aminoheptyl)-N-(2-fluoroethyl)cyclohexanesulfonamide
CID 89004004
N-(7-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide
CID 89052023
N-octadecyl-2-(octadecylamino)ethanesulfonamide
CID 91691189
N-methyl-2-(methylamino)-N-octadecylethanesulfonamide
CID 91692977
N-[7-(dimethylamino)heptyl]-1-hexadecanesulfonamide
CID 14407599
N,N-dipropyl-16-(sulfamoylamino)hexadecane-1-sulfonamide
CID 150918389
N-[9-(ethylamino)nonyl]propane-2-sulfonamide;molecular hydrogen
CID 172297636

Frequently Asked Questions

What is the IUPAC name of N-(8-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide?
The IUPAC name of N-(8-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide (CID 89003950) is N-(8-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(8-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide?
The canonical SMILES for N-(8-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide is NCCCCCCCCN(CCF)S(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(8-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide?
The InChIKey is VJIOLPRNBUIBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33FN2O2S/c17-12-15-19(14-9-4-2-1-3-8-13-18)22(20,21)16-10-6-5-7-11-16/h16H,1-15,18H2.
What are the key properties of N-(8-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide?
N-(8-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide has a molecular weight of 336.52 g/mol, XLogP of 3.22, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide is sourced from PubChem (CID 89003950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).