N-(3-ethoxycyclobutyl)-2-methyl-1H-imidazole-5-sulfonamide

C10H17N3O3S — CID 102609491

IUPACN-(3-ethoxycyclobutyl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCCOC1CC(NS(=O)(=O)c2cnc(C)[nH]2)C1
InChIInChI=1S/C10H17N3O3S/c1-3-16-9-4-8(5-9)13-17(14,15)10-6-11-7(2)12-10/h6,8-9,13H,3-5H2,1-2H3,(H,11,12)
InChIKeyXAKPTKHNPFZWSR-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.56
Rot. Bonds5

About N-(3-ethoxycyclobutyl)-2-methyl-1H-imidazole-5-sulfonamide

N-(3-ethoxycyclobutyl)-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 102609491) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID102609491
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-(3-ethoxycyclobutyl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCCOC1CC(NS(=O)(=O)c2cnc(C)[nH]2)C1
InChIInChI=1S/C10H17N3O3S/c1-3-16-9-4-8(5-9)13-17(14,15)10-6-11-7(2)12-10/h6,8-9,13H,3-5H2,1-2H3,(H,11,12)
InChIKeyXAKPTKHNPFZWSR-UHFFFAOYSA-N
XLogP0.56
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-ethoxycyclobutyl)pyrimidine-5-sulfonamide
CID 114120750
4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide
CID 102609509
N-(3-ethoxycyclobutyl)-3-fluoropyridine-2-sulfonamide
CID 114118992
N-(3-ethoxycyclobutyl)-2-hydroxybenzenesulfonamide
CID 114120079
N-[2-(bromomethyl)cyclohexyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 114179797
N-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 66004178
2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 103908379
N-(3-ethoxycyclobutyl)propane-2-sulfonamide
CID 102609488
2-methyl-N-(2-methylsulfanylcyclohexyl)-1H-imidazole-5-sulfonamide
CID 103908449
3-N-(3-ethoxycyclobutyl)benzene-1,3-disulfonamide
CID 102609465
5-(aminomethyl)-N-(3-ethoxycyclobutyl)furan-2-sulfonamide
CID 114120981
N-(1-amino-4-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 114212253

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxycyclobutyl)-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(3-ethoxycyclobutyl)-2-methyl-1H-imidazole-5-sulfonamide (CID 102609491) is N-(3-ethoxycyclobutyl)-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(3-ethoxycyclobutyl)-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(3-ethoxycyclobutyl)-2-methyl-1H-imidazole-5-sulfonamide is CCOC1CC(NS(=O)(=O)c2cnc(C)[nH]2)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is XAKPTKHNPFZWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-3-16-9-4-8(5-9)13-17(14,15)10-6-11-7(2)12-10/h6,8-9,13H,3-5H2,1-2H3,(H,11,12).
What are the key properties of N-(3-ethoxycyclobutyl)-2-methyl-1H-imidazole-5-sulfonamide?
N-(3-ethoxycyclobutyl)-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxycyclobutyl)-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 102609491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).