N-[1-(aminomethyl)cyclooctyl]oxane-4-sulfonamide

C14H28N2O3S — CID 62048059

IUPACN-[1-(aminomethyl)cyclooctyl]oxane-4-sulfonamide
SMILESNCC1(NS(=O)(=O)C2CCOCC2)CCCCCCC1
InChIInChI=1S/C14H28N2O3S/c15-12-14(8-4-2-1-3-5-9-14)16-20(17,18)13-6-10-19-11-7-13/h13,16H,1-12,15H2
InChIKeyBDWMIIHVHNGKSZ-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.53
Rot. Bonds4

About N-[1-(aminomethyl)cyclooctyl]oxane-4-sulfonamide

N-[1-(aminomethyl)cyclooctyl]oxane-4-sulfonamide (PubChem CID 62048059) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclooctyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclooctyl]oxane-4-sulfonamide
PubChem CID62048059
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-[1-(aminomethyl)cyclooctyl]oxane-4-sulfonamide
SMILESNCC1(NS(=O)(=O)C2CCOCC2)CCCCCCC1
InChIInChI=1S/C14H28N2O3S/c15-12-14(8-4-2-1-3-5-9-14)16-20(17,18)13-6-10-19-11-7-13/h13,16H,1-12,15H2
InChIKeyBDWMIIHVHNGKSZ-UHFFFAOYSA-N
XLogP1.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(aminomethyl)cyclooctyl]oxane-4-sulfonamide 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

N-[1-(aminomethyl)cyclooctyl]-2-methoxyethanesulfonamide
CID 55009780
N-[1-(aminomethyl)cycloheptyl]oxane-4-sulfonamide
CID 55031293
N-[1-(aminomethyl)cycloheptyl]-2-ethoxyethanesulfonamide
CID 55175263
N-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide
CID 62047541
N-[1-(aminomethyl)cyclohexyl]oxane-4-sulfonamide
CID 62047874
N-[1-(aminomethyl)cyclopentyl]oxane-4-sulfonamide
CID 62047875
1-(Oxan-4-ylsulfonylamino)cyclooctane-1-carbothioamide
CID 62047900
N-[3-(aminomethyl)pentan-3-yl]oxane-4-sulfonamide
CID 62048062
N-[1-(aminomethyl)-4-ethylcyclohexyl]oxane-4-sulfonamide
CID 62048241
N-(2-amino-1-cyclohexylethyl)oxane-4-sulfonamide
CID 62048243
N-(1-cyanocyclooctyl)oxane-4-sulfonamide
CID 62048799
N-[(1-aminocyclohexyl)methyl]oxane-4-sulfonamide
CID 62050311

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclooctyl]oxane-4-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclooctyl]oxane-4-sulfonamide (CID 62048059) is N-[1-(aminomethyl)cyclooctyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclooctyl]oxane-4-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclooctyl]oxane-4-sulfonamide is NCC1(NS(=O)(=O)C2CCOCC2)CCCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclooctyl]oxane-4-sulfonamide?
The InChIKey is BDWMIIHVHNGKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c15-12-14(8-4-2-1-3-5-9-14)16-20(17,18)13-6-10-19-11-7-13/h13,16H,1-12,15H2.
What are the key properties of N-[1-(aminomethyl)cyclooctyl]oxane-4-sulfonamide?
N-[1-(aminomethyl)cyclooctyl]oxane-4-sulfonamide has a molecular weight of 304.46 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclooctyl]oxane-4-sulfonamide is sourced from PubChem (CID 62048059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).