N-[2-(1H-imidazol-5-yl)ethyl]prop-2-ene-1-sulfonamide

C8H13N3O2S — CID 79673996

IUPACN-[2-(1H-imidazol-5-yl)ethyl]prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C8H13N3O2S/c1-2-5-14(12,13)11-4-3-8-6-9-7-10-8/h2,6-7,11H,1,3-5H2,(H,9,10)
InChIKeyHXDKZQBNBBYNJU-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.06
Rot. Bonds6

About N-[2-(1H-imidazol-5-yl)ethyl]prop-2-ene-1-sulfonamide

N-[2-(1H-imidazol-5-yl)ethyl]prop-2-ene-1-sulfonamide (PubChem CID 79673996) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]prop-2-ene-1-sulfonamide
PubChem CID79673996
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C8H13N3O2S/c1-2-5-14(12,13)11-4-3-8-6-9-7-10-8/h2,6-7,11H,1,3-5H2,(H,9,10)
InChIKeyHXDKZQBNBBYNJU-UHFFFAOYSA-N
XLogP0.06
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid
CID 65231882
4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide
CID 116816269
3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide
CID 106066548
4,4,4-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide
CID 83059991
methyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate
CID 65231275
1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide
CID 65231409
methyl (2S)-3-(1H-imidazol-5-yl)-2-(prop-2-enylsulfonylamino)propanoate
CID 107876590
N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 65231374
2,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 65231462
N-[2-(1H-imidazol-5-yl)ethyl]-1-(methylamino)propane-2-sulfonamide
CID 106066562
2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide
CID 65230784
2-(1H-imidazol-5-yl)ethylurea
CID 10582986

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]prop-2-ene-1-sulfonamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]prop-2-ene-1-sulfonamide (CID 79673996) is N-[2-(1H-imidazol-5-yl)ethyl]prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]prop-2-ene-1-sulfonamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]prop-2-ene-1-sulfonamide?
The InChIKey is HXDKZQBNBBYNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-2-5-14(12,13)11-4-3-8-6-9-7-10-8/h2,6-7,11H,1,3-5H2,(H,9,10).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]prop-2-ene-1-sulfonamide?
N-[2-(1H-imidazol-5-yl)ethyl]prop-2-ene-1-sulfonamide has a molecular weight of 215.28 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]prop-2-ene-1-sulfonamide is sourced from PubChem (CID 79673996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).