N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide

C8H15N3O3S — CID 104600676

IUPACN-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide
SMILESCC(C)OCCNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C8H15N3O3S/c1-7(2)14-4-3-11-15(12,13)8-5-9-6-10-8/h5-7,11H,3-4H2,1-2H3,(H,9,10)
InChIKeyUBMKYUGHAJEFAX-UHFFFAOYSA-N
MW233.29 g/mol
LogP0.11
Rot. Bonds6

About N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide

N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide (PubChem CID 104600676) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide
PubChem CID104600676
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC NameN-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide
SMILESCC(C)OCCNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C8H15N3O3S/c1-7(2)14-4-3-11-15(12,13)8-5-9-6-10-8/h5-7,11H,3-4H2,1-2H3,(H,9,10)
InChIKeyUBMKYUGHAJEFAX-UHFFFAOYSA-N
XLogP0.11
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromobutyl)-1H-imidazole-5-sulfonamide
CID 114297759
N-(5-methylhexyl)-1H-imidazole-5-sulfonamide
CID 79002686
N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide
CID 106245540
N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
CID 104594035
N-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide
CID 106158955
N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide
CID 103680413
N-[2-(ethylsulfamoyl)ethyl]-1H-imidazole-5-sulfonamide
CID 103680432
N-(4-bromobutyl)-1H-imidazole-5-sulfonamide
CID 106846730
N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide
CID 113414965
4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110418282
5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 104600711
N-(2-amino-3-ethylpentyl)-1H-imidazole-5-sulfonamide
CID 114168541

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide (CID 104600676) is N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide is CC(C)OCCNS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide?
The InChIKey is UBMKYUGHAJEFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-7(2)14-4-3-11-15(12,13)8-5-9-6-10-8/h5-7,11H,3-4H2,1-2H3,(H,9,10).
What are the key properties of N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide?
N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide has a molecular weight of 233.29 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 104600676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).