N-(2-hydroxybutyl)-2-methyl-1H-imidazole-5-sulfonamide

C8H15N3O3S — CID 89488973

IUPACN-(2-hydroxybutyl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCCC(O)CNS(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C8H15N3O3S/c1-3-7(12)4-10-15(13,14)8-5-9-6(2)11-8/h5,7,10,12H,3-4H2,1-2H3,(H,9,11)
InChIKeyCOXPFADBGXIBAY-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.23
Rot. Bonds5

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

N-(2-hydroxybutyl)-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 89488973) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is N-(2-hydroxybutyl)-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxybutyl)-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID89488973
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC NameN-(2-hydroxybutyl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCCC(O)CNS(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C8H15N3O3S/c1-3-7(12)4-10-15(13,14)8-5-9-6(2)11-8/h5,7,10,12H,3-4H2,1-2H3,(H,9,11)
InChIKeyCOXPFADBGXIBAY-UHFFFAOYSA-N
XLogP-0.23
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxybutyl)-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2-hydroxybutyl)-2-methyl-1H-imidazole-5-sulfonamide (CID 89488973) is N-(2-hydroxybutyl)-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2-hydroxybutyl)-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2-hydroxybutyl)-2-methyl-1H-imidazole-5-sulfonamide is CCC(O)CNS(=O)(=O)c1cnc(C)[nH]1.
What is the InChIKey of N-(2-hydroxybutyl)-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is COXPFADBGXIBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-3-7(12)4-10-15(13,14)8-5-9-6(2)11-8/h5,7,10,12H,3-4H2,1-2H3,(H,9,11).
What are the key properties of N-(2-hydroxybutyl)-2-methyl-1H-imidazole-5-sulfonamide?
N-(2-hydroxybutyl)-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 233.29 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxybutyl)-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 89488973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).