N-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide

C8H11N3O2S — CID 106898626

IUPACN-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide
SMILESC#CC(CC)NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C8H11N3O2S/c1-3-7(4-2)11-14(12,13)8-5-9-6-10-8/h1,5-7,11H,4H2,2H3,(H,9,10)
InChIKeyPATVYUHZSXSRQZ-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.10
Rot. Bonds4

About N-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide

N-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide (PubChem CID 106898626) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide
PubChem CID106898626
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC NameN-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide
SMILESC#CC(CC)NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C8H11N3O2S/c1-3-7(4-2)11-14(12,13)8-5-9-6-10-8/h1,5-7,11H,4H2,2H3,(H,9,10)
InChIKeyPATVYUHZSXSRQZ-UHFFFAOYSA-N
XLogP0.10
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.10
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

N-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide
CID 115662723
N-pent-1-yn-3-yl-1H-pyrazole-4-sulfonamide
CID 106898738
N-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide
CID 64994110
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103943314
N-(2-amino-3-ethylpentyl)-1H-imidazole-5-sulfonamide
CID 114168541
N-(1-amino-3-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide
CID 106181220
N'-hydroxy-2-(1H-imidazol-5-ylsulfonylamino)pentanimidamide
CID 77021293
2-ethyl-N-hex-1-yn-3-yl-1H-imidazole-5-sulfonamide
CID 106229017
N-(4-bromo-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide
CID 106158527
N-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide
CID 106153872
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1H-imidazole-5-sulfonamide
CID 113239207
N-[2-(aminomethyl)-2-ethylbutyl]-1H-imidazole-5-sulfonamide
CID 106251055

Frequently Asked Questions

What is the IUPAC name of N-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide (CID 106898626) is N-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide is C#CC(CC)NS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide?
The InChIKey is PATVYUHZSXSRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-3-7(4-2)11-14(12,13)8-5-9-6-10-8/h1,5-7,11H,4H2,2H3,(H,9,10).
What are the key properties of N-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide?
N-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide has a molecular weight of 213.26 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 106898626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).