2-ethyl-N-hex-1-yn-3-yl-1H-imidazole-5-sulfonamide

C11H17N3O2S — CID 106229017

IUPAC2-ethyl-N-hex-1-yn-3-yl-1H-imidazole-5-sulfonamide
SMILESC#CC(CCC)NS(=O)(=O)c1cnc(CC)[nH]1
InChIInChI=1S/C11H17N3O2S/c1-4-7-9(5-2)14-17(15,16)11-8-12-10(6-3)13-11/h2,8-9,14H,4,6-7H2,1,3H3,(H,12,13)
InChIKeyQIJCHHUILIZUQB-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.05
Rot. Bonds6

About 2-ethyl-N-hex-1-yn-3-yl-1H-imidazole-5-sulfonamide

2-ethyl-N-hex-1-yn-3-yl-1H-imidazole-5-sulfonamide (PubChem CID 106229017) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-ethyl-N-hex-1-yn-3-yl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-hex-1-yn-3-yl-1H-imidazole-5-sulfonamide
PubChem CID106229017
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-ethyl-N-hex-1-yn-3-yl-1H-imidazole-5-sulfonamide
SMILESC#CC(CCC)NS(=O)(=O)c1cnc(CC)[nH]1
InChIInChI=1S/C11H17N3O2S/c1-4-7-9(5-2)14-17(15,16)11-8-12-10(6-3)13-11/h2,8-9,14H,4,6-7H2,1,3H3,(H,12,13)
InChIKeyQIJCHHUILIZUQB-UHFFFAOYSA-N
XLogP1.05
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-imidazole-5-sulfonamide
CID 79246204
(2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80749768
N-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114150900
2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 65042707
N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114298250
2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide
CID 114111971
N-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide
CID 106898897
N-(2-chloro-1-phenylethyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 65030918
N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 107868964
N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 115303585
N-hex-1-yn-3-ylmethanesulfonamide
CID 106898819
N-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide
CID 106898626

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-hex-1-yn-3-yl-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-hex-1-yn-3-yl-1H-imidazole-5-sulfonamide (CID 106229017) is 2-ethyl-N-hex-1-yn-3-yl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-hex-1-yn-3-yl-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-hex-1-yn-3-yl-1H-imidazole-5-sulfonamide is C#CC(CCC)NS(=O)(=O)c1cnc(CC)[nH]1.
What is the InChIKey of 2-ethyl-N-hex-1-yn-3-yl-1H-imidazole-5-sulfonamide?
The InChIKey is QIJCHHUILIZUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-4-7-9(5-2)14-17(15,16)11-8-12-10(6-3)13-11/h2,8-9,14H,4,6-7H2,1,3H3,(H,12,13).
What are the key properties of 2-ethyl-N-hex-1-yn-3-yl-1H-imidazole-5-sulfonamide?
2-ethyl-N-hex-1-yn-3-yl-1H-imidazole-5-sulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-hex-1-yn-3-yl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 106229017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).