1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide

C11H21N3O3S — CID 115875750

IUPAC1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide
SMILESCCC(O)CCNS(=O)(=O)c1cn(CC)c(C)n1
InChIInChI=1S/C11H21N3O3S/c1-4-10(15)6-7-12-18(16,17)11-8-14(5-2)9(3)13-11/h8,10,12,15H,4-7H2,1-3H3
InChIKeyHCMWXZWQPOUXPH-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.65
Rot. Bonds7

About 1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide

1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide (PubChem CID 115875750) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide
PubChem CID115875750
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide
SMILESCCC(O)CCNS(=O)(=O)c1cn(CC)c(C)n1
InChIInChI=1S/C11H21N3O3S/c1-4-10(15)6-7-12-18(16,17)11-8-14(5-2)9(3)13-11/h8,10,12,15H,4-7H2,1-3H3
InChIKeyHCMWXZWQPOUXPH-UHFFFAOYSA-N
XLogP0.65
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,2-dimethyl-1H-imidazole-4-sulfonamido)propanoic acid
CID 47002352
1-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 103834103
N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide
CID 103836827
N-(3,3-difluoro-2-hydroxypropyl)-1,2-dimethylimidazole-4-sulfonamide
CID 103836860
N-(3,3-difluoro-2-hydroxypropyl)-1-ethylimidazole-4-sulfonamide
CID 103836911
1-ethyl-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 103880412
N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 103880464
N-(2,2-difluoro-3-hydroxypropyl)-1-methylimidazole-4-sulfonamide
CID 104858765
N-(2,2-difluoro-3-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 104858830
2-methyl-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 105649273
N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 105649301
N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 106170242

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide (CID 115875750) is 1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide is CCC(O)CCNS(=O)(=O)c1cn(CC)c(C)n1.
What is the InChIKey of 1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide?
The InChIKey is HCMWXZWQPOUXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-4-10(15)6-7-12-18(16,17)11-8-14(5-2)9(3)13-11/h8,10,12,15H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide?
1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide has a molecular weight of 275.37 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 115875750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).