N-(1-ethylcyclobutyl)-1H-imidazole-5-sulfonamide

C9H15N3O2S — CID 115673541

IUPACN-(1-ethylcyclobutyl)-1H-imidazole-5-sulfonamide
SMILESCCC1(NS(=O)(=O)c2cnc[nH]2)CCC1
InChIInChI=1S/C9H15N3O2S/c1-2-9(4-3-5-9)12-15(13,14)8-6-10-7-11-8/h6-7,12H,2-5H2,1H3,(H,10,11)
InChIKeyQUGADGBGTOJGCJ-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.02
Rot. Bonds4

About N-(1-ethylcyclobutyl)-1H-imidazole-5-sulfonamide

N-(1-ethylcyclobutyl)-1H-imidazole-5-sulfonamide (PubChem CID 115673541) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(1-ethylcyclobutyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-ethylcyclobutyl)-1H-imidazole-5-sulfonamide
PubChem CID115673541
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-(1-ethylcyclobutyl)-1H-imidazole-5-sulfonamide
SMILESCCC1(NS(=O)(=O)c2cnc[nH]2)CCC1
InChIInChI=1S/C9H15N3O2S/c1-2-9(4-3-5-9)12-15(13,14)8-6-10-7-11-8/h6-7,12H,2-5H2,1H3,(H,10,11)
InChIKeyQUGADGBGTOJGCJ-UHFFFAOYSA-N
XLogP1.02
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine
CID 6621960
1-(1H-imidazol-5-ylsulfonyl)-3-methylpiperidine
CID 20856396
1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine
CID 20856403
1H-imidazole-4-sulfonamide
CID 22747796
1-(1H-imidazol-4-ylsulfonyl)azepane
CID 3235988
1-(1H-imidazole-4-sulfonyl)piperidine
CID 6619508
N,N-dimethyl-1H-imidazole-4-sulfonamide
CID 54593459
N-methyl-1H-imidazole-4-sulfonamide
CID 54164638
N-cyclopropyl-1H-imidazole-4-sulfonamide
CID 54593460
N-[1-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide
CID 62373927
N-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide
CID 84591328
N-[2-cyclohexyl-2-(dimethylamino)ethyl]-1H-imidazole-5-sulfonamide
CID 121523857

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylcyclobutyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(1-ethylcyclobutyl)-1H-imidazole-5-sulfonamide (CID 115673541) is N-(1-ethylcyclobutyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(1-ethylcyclobutyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(1-ethylcyclobutyl)-1H-imidazole-5-sulfonamide is CCC1(NS(=O)(=O)c2cnc[nH]2)CCC1.
What is the InChIKey of N-(1-ethylcyclobutyl)-1H-imidazole-5-sulfonamide?
The InChIKey is QUGADGBGTOJGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-2-9(4-3-5-9)12-15(13,14)8-6-10-7-11-8/h6-7,12H,2-5H2,1H3,(H,10,11).
What are the key properties of N-(1-ethylcyclobutyl)-1H-imidazole-5-sulfonamide?
N-(1-ethylcyclobutyl)-1H-imidazole-5-sulfonamide has a molecular weight of 229.30 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclobutyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 115673541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).