1-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-2-methylimidazole-4-sulfonamide

C11H19N3O3S — CID 104600270

IUPAC1-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2(CO)CCC2)nc1C
InChIInChI=1S/C11H19N3O3S/c1-3-14-7-10(12-9(14)2)18(16,17)13-11(8-15)5-4-6-11/h7,13,15H,3-6,8H2,1-2H3
InChIKeyLOFOTGXCKBYSJX-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.40
Rot. Bonds5

About 1-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-2-methylimidazole-4-sulfonamide

1-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-2-methylimidazole-4-sulfonamide (PubChem CID 104600270) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-2-methylimidazole-4-sulfonamide
PubChem CID104600270
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name1-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2(CO)CCC2)nc1C
InChIInChI=1S/C11H19N3O3S/c1-3-14-7-10(12-9(14)2)18(16,17)13-11(8-15)5-4-6-11/h7,13,15H,3-6,8H2,1-2H3
InChIKeyLOFOTGXCKBYSJX-UHFFFAOYSA-N
XLogP0.40
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]cyclobutyl]acetic acid
CID 79845001
1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylimidazole-4-sulfonamide
CID 115875744
1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide
CID 65113290
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 107848291
2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64671759
N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 64591191
1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide
CID 107232092
2-[1-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexyl]acetic acid
CID 64702323
methyl 2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-hydroxypropanoate
CID 62065532
1-ethyl-2-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]imidazole-4-sulfonamide
CID 114761673
N-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide
CID 62521953
2-ethyl-2-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]butanoic acid
CID 79806387

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-2-methylimidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-2-methylimidazole-4-sulfonamide (CID 104600270) is 1-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-2-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2(CO)CCC2)nc1C.
What is the InChIKey of 1-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-2-methylimidazole-4-sulfonamide?
The InChIKey is LOFOTGXCKBYSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-3-14-7-10(12-9(14)2)18(16,17)13-11(8-15)5-4-6-11/h7,13,15H,3-6,8H2,1-2H3.
What are the key properties of 1-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-2-methylimidazole-4-sulfonamide?
1-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-2-methylimidazole-4-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 104600270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).