1-ethyl-N-pent-4-yn-2-ylimidazole-4-sulfonamide

C10H15N3O2S — CID 115672023

IUPAC1-ethyl-N-pent-4-yn-2-ylimidazole-4-sulfonamide
SMILESC#CCC(C)NS(=O)(=O)c1cn(CC)cn1
InChIInChI=1S/C10H15N3O2S/c1-4-6-9(3)12-16(14,15)10-7-13(5-2)8-11-10/h1,7-9,12H,5-6H2,2-3H3
InChIKeyTZYWSJLJLVOHCK-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.59
Rot. Bonds5

About 1-ethyl-N-pent-4-yn-2-ylimidazole-4-sulfonamide

1-ethyl-N-pent-4-yn-2-ylimidazole-4-sulfonamide (PubChem CID 115672023) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-ethyl-N-pent-4-yn-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-pent-4-yn-2-ylimidazole-4-sulfonamide
PubChem CID115672023
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name1-ethyl-N-pent-4-yn-2-ylimidazole-4-sulfonamide
SMILESC#CCC(C)NS(=O)(=O)c1cn(CC)cn1
InChIInChI=1S/C10H15N3O2S/c1-4-6-9(3)12-16(14,15)10-7-13(5-2)8-11-10/h1,7-9,12H,5-6H2,2-3H3
InChIKeyTZYWSJLJLVOHCK-UHFFFAOYSA-N
XLogP0.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-pent-4-yn-2-ylimidazole-4-sulfonamide
CID 115662679
N-(1-cyanoethyl)-1-ethylimidazole-4-sulfonamide
CID 79373993
N-(1-cyanopropyl)-1-ethylimidazole-4-sulfonamide
CID 79372678
N-[(1S)-1-cyclopropylethyl]-1-ethylimidazole-4-sulfonamide
CID 96566607
N-(3-chlorobutyl)-1-ethylimidazole-4-sulfonamide
CID 79373407
(2S)-2-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylpentanoic acid
CID 79373361
N-(4-amino-1-methoxybutan-2-yl)-1-ethylimidazole-4-sulfonamide
CID 106153983
N-ethoxy-1-ethylimidazole-4-sulfonamide
CID 79372849
N-cyclopropyl-1-ethylimidazole-4-sulfonamide
CID 79373899
4-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid
CID 81066185
1-ethyl-N-pent-3-ynylimidazole-4-sulfonamide
CID 116645236
N-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide
CID 106846497

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-pent-4-yn-2-ylimidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-pent-4-yn-2-ylimidazole-4-sulfonamide (CID 115672023) is 1-ethyl-N-pent-4-yn-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-pent-4-yn-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-pent-4-yn-2-ylimidazole-4-sulfonamide is C#CCC(C)NS(=O)(=O)c1cn(CC)cn1.
What is the InChIKey of 1-ethyl-N-pent-4-yn-2-ylimidazole-4-sulfonamide?
The InChIKey is TZYWSJLJLVOHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-4-6-9(3)12-16(14,15)10-7-13(5-2)8-11-10/h1,7-9,12H,5-6H2,2-3H3.
What are the key properties of 1-ethyl-N-pent-4-yn-2-ylimidazole-4-sulfonamide?
1-ethyl-N-pent-4-yn-2-ylimidazole-4-sulfonamide has a molecular weight of 241.32 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-pent-4-yn-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 115672023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).