N-[1-(aminomethyl)cyclooctyl]butane-1-sulfonamide

C13H28N2O2S — CID 28940634

IUPACN-[1-(aminomethyl)cyclooctyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1(CN)CCCCCCC1
InChIInChI=1S/C13H28N2O2S/c1-2-3-11-18(16,17)15-13(12-14)9-7-5-4-6-8-10-13/h15H,2-12,14H2,1H3
InChIKeyOEDGYJSSCOSROJ-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.15
Rot. Bonds6

About N-[1-(aminomethyl)cyclooctyl]butane-1-sulfonamide

N-[1-(aminomethyl)cyclooctyl]butane-1-sulfonamide (PubChem CID 28940634) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclooctyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclooctyl]butane-1-sulfonamide
PubChem CID28940634
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-[1-(aminomethyl)cyclooctyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1(CN)CCCCCCC1
InChIInChI=1S/C13H28N2O2S/c1-2-3-11-18(16,17)15-13(12-14)9-7-5-4-6-8-10-13/h15H,2-12,14H2,1H3
InChIKeyOEDGYJSSCOSROJ-UHFFFAOYSA-N
XLogP2.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(aminomethyl)cyclooctyl]butane-1-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)cyclopentyl]ethanesulfonamide
CID 28940534
N-[1-(aminomethyl)cyclooctyl]-1,1-difluoromethanesulfonamide
CID 28940620
N-[1-(aminomethyl)cyclooctyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83047749
N-[1-(aminomethyl)cycloheptyl]methanesulfonamide
CID 28940684
1-Amino-2-methyloctane-4-sulfonamide
CID 57090687
1-(1-aminocyclohexyl)-N-ethylmethanesulfonamide
CID 71057607
N-[1-(aminomethyl)cyclohexyl]ethanesulfonamide
CID 28940494
N-[1-(aminomethyl)cyclohexyl]butane-1-sulfonamide
CID 28940496
N-[1-(aminomethyl)cyclohexyl]propane-1-sulfonamide
CID 28940498
N-[1-(aminomethyl)cyclopentyl]butane-1-sulfonamide
CID 28940536
N-[1-(aminomethyl)cyclopentyl]propane-1-sulfonamide
CID 28940538
N-[1-(aminomethyl)cyclooctyl]ethanesulfonamide
CID 28940632

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclooctyl]butane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclooctyl]butane-1-sulfonamide (CID 28940634) is N-[1-(aminomethyl)cyclooctyl]butane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclooctyl]butane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclooctyl]butane-1-sulfonamide is CCCCS(=O)(=O)NC1(CN)CCCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclooctyl]butane-1-sulfonamide?
The InChIKey is OEDGYJSSCOSROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-2-3-11-18(16,17)15-13(12-14)9-7-5-4-6-8-10-13/h15H,2-12,14H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclooctyl]butane-1-sulfonamide?
N-[1-(aminomethyl)cyclooctyl]butane-1-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclooctyl]butane-1-sulfonamide is sourced from PubChem (CID 28940634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).