2-[(E)-2-propan-2-ylsulfonylethenyl]-1H-imidazole

C8H12N2O2S — CID 129118276

IUPAC2-[(E)-2-propan-2-ylsulfonylethenyl]-1H-imidazole
SMILESCC(C)S(=O)(=O)/C=C/c1ncc[nH]1
InChIInChI=1S/C8H12N2O2S/c1-7(2)13(11,12)6-3-8-9-4-5-10-8/h3-7H,1-2H3,(H,9,10)/b6-3+
InChIKeyZIWRZIXCJRDTLT-ZZXKWVIFSA-N
MW200.26 g/mol
LogP1.20
Rot. Bonds3

About 2-[(E)-2-propan-2-ylsulfonylethenyl]-1H-imidazole

2-[(E)-2-propan-2-ylsulfonylethenyl]-1H-imidazole (PubChem CID 129118276) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-[(E)-2-propan-2-ylsulfonylethenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(E)-2-propan-2-ylsulfonylethenyl]-1H-imidazole
PubChem CID129118276
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-[(E)-2-propan-2-ylsulfonylethenyl]-1H-imidazole
SMILESCC(C)S(=O)(=O)/C=C/c1ncc[nH]1
InChIInChI=1S/C8H12N2O2S/c1-7(2)13(11,12)6-3-8-9-4-5-10-8/h3-7H,1-2H3,(H,9,10)/b6-3+
InChIKeyZIWRZIXCJRDTLT-ZZXKWVIFSA-N
XLogP1.20
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-propan-2-ylsulfonylethenyl]-1H-imidazole?
The IUPAC name of 2-[(E)-2-propan-2-ylsulfonylethenyl]-1H-imidazole (CID 129118276) is 2-[(E)-2-propan-2-ylsulfonylethenyl]-1H-imidazole.
What is the SMILES notation for 2-[(E)-2-propan-2-ylsulfonylethenyl]-1H-imidazole?
The canonical SMILES for 2-[(E)-2-propan-2-ylsulfonylethenyl]-1H-imidazole is CC(C)S(=O)(=O)/C=C/c1ncc[nH]1.
What is the InChIKey of 2-[(E)-2-propan-2-ylsulfonylethenyl]-1H-imidazole?
The InChIKey is ZIWRZIXCJRDTLT-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-7(2)13(11,12)6-3-8-9-4-5-10-8/h3-7H,1-2H3,(H,9,10)/b6-3+.
What are the key properties of 2-[(E)-2-propan-2-ylsulfonylethenyl]-1H-imidazole?
2-[(E)-2-propan-2-ylsulfonylethenyl]-1H-imidazole has a molecular weight of 200.26 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-propan-2-ylsulfonylethenyl]-1H-imidazole is sourced from PubChem (CID 129118276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).