N-cyclooctyl-1-methylimidazole-4-sulfonamide

C12H21N3O2S — CID 20958588

IUPACN-cyclooctyl-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C12H21N3O2S/c1-15-9-12(13-10-15)18(16,17)14-11-7-5-3-2-4-6-8-11/h9-11,14H,2-8H2,1H3
InChIKeyWSLCBBLSOWOHGC-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.81
Rot. Bonds3

About N-cyclooctyl-1-methylimidazole-4-sulfonamide

N-cyclooctyl-1-methylimidazole-4-sulfonamide (PubChem CID 20958588) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-cyclooctyl-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclooctyl-1-methylimidazole-4-sulfonamide
PubChem CID20958588
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-cyclooctyl-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C12H21N3O2S/c1-15-9-12(13-10-15)18(16,17)14-11-7-5-3-2-4-6-8-11/h9-11,14H,2-8H2,1H3
InChIKeyWSLCBBLSOWOHGC-UHFFFAOYSA-N
XLogP1.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclooctyl-1-methylimidazole-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

1H-Imidazole-4-sulfonamide, 1-(1-methylethyl)-
CID 71757215
1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide
CID 71969893
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-amine dihydrochloride
CID 165943498
N-[1-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide
CID 62373927
N-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide
CID 84591328
N-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 84598067
N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide
CID 86784600
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 86801792
1,6-Bis(1-methyl-4-imidazolesulfonamido)hexane
CID 3028825
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-amine
CID 62373439
1-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 62373282
1-ethyl-N-[6-(trifluoromethyl)piperidin-3-yl]imidazole-4-sulfonamide
CID 82794648

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-cyclooctyl-1-methylimidazole-4-sulfonamide (CID 20958588) is N-cyclooctyl-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-cyclooctyl-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-cyclooctyl-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC2CCCCCCC2)c1.
What is the InChIKey of N-cyclooctyl-1-methylimidazole-4-sulfonamide?
The InChIKey is WSLCBBLSOWOHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-15-9-12(13-10-15)18(16,17)14-11-7-5-3-2-4-6-8-11/h9-11,14H,2-8H2,1H3.
What are the key properties of N-cyclooctyl-1-methylimidazole-4-sulfonamide?
N-cyclooctyl-1-methylimidazole-4-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 20958588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).