N-(6-aminohexyl)-N-(2-fluoroethyl)cyclohexanesulfonamide

C14H29FN2O2S — CID 89003781

IUPACN-(6-aminohexyl)-N-(2-fluoroethyl)cyclohexanesulfonamide
SMILESNCCCCCCN(CCF)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H29FN2O2S/c15-10-13-17(12-7-2-1-6-11-16)20(18,19)14-8-4-3-5-9-14/h14H,1-13,16H2
InChIKeyBLNHKYILXDBOAK-UHFFFAOYSA-N
MW308.46 g/mol
LogP2.44
Rot. Bonds10

About N-(6-aminohexyl)-N-(2-fluoroethyl)cyclohexanesulfonamide

N-(6-aminohexyl)-N-(2-fluoroethyl)cyclohexanesulfonamide (PubChem CID 89003781) has the molecular formula C14H29FN2O2S and a molecular weight of 308.46 g/mol. Its IUPAC name is N-(6-aminohexyl)-N-(2-fluoroethyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-N-(2-fluoroethyl)cyclohexanesulfonamide
PubChem CID89003781
Molecular FormulaC14H29FN2O2S
Molecular Weight308.46 g/mol
Exact Mass308.19
IUPAC NameN-(6-aminohexyl)-N-(2-fluoroethyl)cyclohexanesulfonamide
SMILESNCCCCCCN(CCF)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H29FN2O2S/c15-10-13-17(12-7-2-1-6-11-16)20(18,19)14-8-4-3-5-9-14/h14H,1-13,16H2
InChIKeyBLNHKYILXDBOAK-UHFFFAOYSA-N
XLogP2.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(6-aminohexyl)-N-(2-fluoroethyl)cyclohexanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Cyclohexylazaniumyl)ethanesulfonate
CID 3852474
2-(Piperidine-1-sulfonyl)ethan-1-amine
CID 208100
N-cyclohexyl-2-(cyclopropylamino)ethanesulfonamide
CID 45480038
3-(Cyclohexylazaniumyl)propane-1-sulfonate
CID 12546061
1Lambda6-thia-2,9-diazacycloundecane-1,1-dione
CID 137952389
N-cyclohexyl-3-fluoropropane-1-sulfonamide
CID 129397177
(2R)-3-(cyclohexylamino)-2-fluoropropane-1-sulfonic acid
CID 11528835
(2S)-3-(cyclohexylamino)-2-fluoropropane-1-sulfonic acid
CID 58691868
3-(Cyclohexylamino)-2-fluoropropane-1-sulfonic acid
CID 58692051
N-(8-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide
CID 89003950
N-(7-aminoheptyl)-N-(2-fluoroethyl)cyclohexanesulfonamide
CID 89004004
N-(7-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide
CID 89052023

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-N-(2-fluoroethyl)cyclohexanesulfonamide?
The IUPAC name of N-(6-aminohexyl)-N-(2-fluoroethyl)cyclohexanesulfonamide (CID 89003781) is N-(6-aminohexyl)-N-(2-fluoroethyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(6-aminohexyl)-N-(2-fluoroethyl)cyclohexanesulfonamide?
The canonical SMILES for N-(6-aminohexyl)-N-(2-fluoroethyl)cyclohexanesulfonamide is NCCCCCCN(CCF)S(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(6-aminohexyl)-N-(2-fluoroethyl)cyclohexanesulfonamide?
The InChIKey is BLNHKYILXDBOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2O2S/c15-10-13-17(12-7-2-1-6-11-16)20(18,19)14-8-4-3-5-9-14/h14H,1-13,16H2.
What are the key properties of N-(6-aminohexyl)-N-(2-fluoroethyl)cyclohexanesulfonamide?
N-(6-aminohexyl)-N-(2-fluoroethyl)cyclohexanesulfonamide has a molecular weight of 308.46 g/mol, XLogP of 2.44, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-N-(2-fluoroethyl)cyclohexanesulfonamide is sourced from PubChem (CID 89003781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).