N-[1-(aminomethyl)cyclooctyl]-2-ethoxyethanesulfonamide

C13H28N2O3S — CID 63245894

IUPACN-[1-(aminomethyl)cyclooctyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1(CN)CCCCCCC1
InChIInChI=1S/C13H28N2O3S/c1-2-18-10-11-19(16,17)15-13(12-14)8-6-4-3-5-7-9-13/h15H,2-12,14H2,1H3
InChIKeyGYXSJDUOSNKDDB-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.38
Rot. Bonds7

About N-[1-(aminomethyl)cyclooctyl]-2-ethoxyethanesulfonamide

N-[1-(aminomethyl)cyclooctyl]-2-ethoxyethanesulfonamide (PubChem CID 63245894) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclooctyl]-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclooctyl]-2-ethoxyethanesulfonamide
PubChem CID63245894
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-[1-(aminomethyl)cyclooctyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1(CN)CCCCCCC1
InChIInChI=1S/C13H28N2O3S/c1-2-18-10-11-19(16,17)15-13(12-14)8-6-4-3-5-7-9-13/h15H,2-12,14H2,1H3
InChIKeyGYXSJDUOSNKDDB-UHFFFAOYSA-N
XLogP1.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-propan-2-yloxyethanesulfonamide
CID 79594262
N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79594656
N-[1-(aminomethyl)cyclooctyl]ethanesulfonamide
CID 28940632
N-[1-(aminomethyl)cyclooctyl]butane-1-sulfonamide
CID 28940634
N-[1-(aminomethyl)cyclooctyl]propane-1-sulfonamide
CID 28940638
N-(2-amino-1-cyclohexylethyl)-2-methoxyethanesulfonamide
CID 55009587
N-[1-(aminomethyl)cyclooctyl]-2-methoxyethanesulfonamide
CID 55009780
N-[1-(aminomethyl)cycloheptyl]-2-methoxyethanesulfonamide
CID 55009781
N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxyethanesulfonamide
CID 55009829
N-[(1-aminocycloheptyl)methyl]-2-methoxyethanesulfonamide
CID 55014025
1-(2-Methoxyethylsulfonylamino)cyclooctane-1-carbothioamide
CID 55014118
N-(1-cyanocyclooctyl)-2-methoxyethanesulfonamide
CID 55014629

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclooctyl]-2-ethoxyethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclooctyl]-2-ethoxyethanesulfonamide (CID 63245894) is N-[1-(aminomethyl)cyclooctyl]-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclooctyl]-2-ethoxyethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclooctyl]-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)NC1(CN)CCCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclooctyl]-2-ethoxyethanesulfonamide?
The InChIKey is GYXSJDUOSNKDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-2-18-10-11-19(16,17)15-13(12-14)8-6-4-3-5-7-9-13/h15H,2-12,14H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclooctyl]-2-ethoxyethanesulfonamide?
N-[1-(aminomethyl)cyclooctyl]-2-ethoxyethanesulfonamide has a molecular weight of 292.44 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclooctyl]-2-ethoxyethanesulfonamide is sourced from PubChem (CID 63245894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).