1-ethyl-N-pent-3-ynylimidazole-4-sulfonamide

C10H15N3O2S — CID 116645236

IUPAC1-ethyl-N-pent-3-ynylimidazole-4-sulfonamide
SMILESCC#CCCNS(=O)(=O)c1cn(CC)cn1
InChIInChI=1S/C10H15N3O2S/c1-3-5-6-7-12-16(14,15)10-8-13(4-2)9-11-10/h8-9,12H,4,6-7H2,1-2H3
InChIKeyPYCYWZAUBOHCIS-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.59
Rot. Bonds5

About 1-ethyl-N-pent-3-ynylimidazole-4-sulfonamide

1-ethyl-N-pent-3-ynylimidazole-4-sulfonamide (PubChem CID 116645236) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-ethyl-N-pent-3-ynylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-pent-3-ynylimidazole-4-sulfonamide
PubChem CID116645236
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name1-ethyl-N-pent-3-ynylimidazole-4-sulfonamide
SMILESCC#CCCNS(=O)(=O)c1cn(CC)cn1
InChIInChI=1S/C10H15N3O2S/c1-3-5-6-7-12-16(14,15)10-8-13(4-2)9-11-10/h8-9,12H,4,6-7H2,1-2H3
InChIKeyPYCYWZAUBOHCIS-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide
CID 106846497
3-[(1-ethylimidazol-4-yl)sulfonylamino]propanoic acid
CID 79373798
N-(5-aminopentyl)-1-ethylimidazole-4-sulfonamide
CID 79373974
N-(3-chlorobutyl)-1-ethylimidazole-4-sulfonamide
CID 79373407
N-(2-azidoethyl)-1-ethylimidazole-4-sulfonamide
CID 79373404
1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride
CID 120723340
1-ethyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide;dihydrochloride
CID 119966513
1-ethyl-N-(3-hydroxy-4-methoxybutyl)imidazole-4-sulfonamide
CID 113343424
1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-sulfonamide
CID 79372698
methyl 6-[(1-ethylimidazol-4-yl)sulfonylamino]hexanoate
CID 79373929
N-ethoxy-1-ethylimidazole-4-sulfonamide
CID 79372849
2-[[2-[(1-ethylimidazol-4-yl)sulfonylamino]acetyl]amino]acetic acid
CID 79373274

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-pent-3-ynylimidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-pent-3-ynylimidazole-4-sulfonamide (CID 116645236) is 1-ethyl-N-pent-3-ynylimidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-pent-3-ynylimidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-pent-3-ynylimidazole-4-sulfonamide is CC#CCCNS(=O)(=O)c1cn(CC)cn1.
What is the InChIKey of 1-ethyl-N-pent-3-ynylimidazole-4-sulfonamide?
The InChIKey is PYCYWZAUBOHCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-3-5-6-7-12-16(14,15)10-8-13(4-2)9-11-10/h8-9,12H,4,6-7H2,1-2H3.
What are the key properties of 1-ethyl-N-pent-3-ynylimidazole-4-sulfonamide?
1-ethyl-N-pent-3-ynylimidazole-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-3-ynylimidazole-4-sulfonamide is sourced from PubChem (CID 116645236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).