N-(7-aminoheptyl)-N-(2-fluoroethyl)cyclohexanesulfonamide

C15H31FN2O2S — CID 89004004

IUPACN-(7-aminoheptyl)-N-(2-fluoroethyl)cyclohexanesulfonamide
SMILESNCCCCCCCN(CCF)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H31FN2O2S/c16-11-14-18(13-8-3-1-2-7-12-17)21(19,20)15-9-5-4-6-10-15/h15H,1-14,17H2
InChIKeyHVNWFQGMLTWUMD-UHFFFAOYSA-N
MW322.49 g/mol
LogP2.83
Rot. Bonds11

About N-(7-aminoheptyl)-N-(2-fluoroethyl)cyclohexanesulfonamide

N-(7-aminoheptyl)-N-(2-fluoroethyl)cyclohexanesulfonamide (PubChem CID 89004004) has the molecular formula C15H31FN2O2S and a molecular weight of 322.49 g/mol. Its IUPAC name is N-(7-aminoheptyl)-N-(2-fluoroethyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(7-aminoheptyl)-N-(2-fluoroethyl)cyclohexanesulfonamide
PubChem CID89004004
Molecular FormulaC15H31FN2O2S
Molecular Weight322.49 g/mol
Exact Mass322.21
IUPAC NameN-(7-aminoheptyl)-N-(2-fluoroethyl)cyclohexanesulfonamide
SMILESNCCCCCCCN(CCF)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H31FN2O2S/c16-11-14-18(13-8-3-1-2-7-12-17)21(19,20)15-9-5-4-6-10-15/h15H,1-14,17H2
InChIKeyHVNWFQGMLTWUMD-UHFFFAOYSA-N
XLogP2.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 52.83
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

1Lambda6-thia-2,9-diazacycloundecane-1,1-dione
CID 137952389
N-(6-aminohexyl)-N-(2-fluoroethyl)cyclohexanesulfonamide
CID 89003781
N-(8-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide
CID 89003950
N-(7-aminooctyl)-N-(2-fluoroethyl)cyclohexanesulfonamide
CID 89052023
N-(7-fluoroheptyl)cyclohexanesulfonamide
CID 168158612
1-(4-Fluorocyclohexyl)sulfonylpiperidin-4-amine
CID 172133622
4-[(2S,6R)-2-ethyl-6-fluoropiperidin-1-yl]sulfonylcyclohexan-1-amine
CID 173833591
N-(4-aminocyclohexyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
CID 83047656
N-(3-aminopropyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83047751
N-(4-aminocyclohexyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83058528
N-(2-aminoethyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83060012
3-Piperidin-1-ylsulfonylpropan-1-amine
CID 28704672

Frequently Asked Questions

What is the IUPAC name of N-(7-aminoheptyl)-N-(2-fluoroethyl)cyclohexanesulfonamide?
The IUPAC name of N-(7-aminoheptyl)-N-(2-fluoroethyl)cyclohexanesulfonamide (CID 89004004) is N-(7-aminoheptyl)-N-(2-fluoroethyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(7-aminoheptyl)-N-(2-fluoroethyl)cyclohexanesulfonamide?
The canonical SMILES for N-(7-aminoheptyl)-N-(2-fluoroethyl)cyclohexanesulfonamide is NCCCCCCCN(CCF)S(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(7-aminoheptyl)-N-(2-fluoroethyl)cyclohexanesulfonamide?
The InChIKey is HVNWFQGMLTWUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FN2O2S/c16-11-14-18(13-8-3-1-2-7-12-17)21(19,20)15-9-5-4-6-10-15/h15H,1-14,17H2.
What are the key properties of N-(7-aminoheptyl)-N-(2-fluoroethyl)cyclohexanesulfonamide?
N-(7-aminoheptyl)-N-(2-fluoroethyl)cyclohexanesulfonamide has a molecular weight of 322.49 g/mol, XLogP of 2.83, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-aminoheptyl)-N-(2-fluoroethyl)cyclohexanesulfonamide is sourced from PubChem (CID 89004004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).