propyl 3-ethenyl-2H-imidazole-1-sulfonate

C8H14N2O3S — CID 175190318

IUPACpropyl 3-ethenyl-2H-imidazole-1-sulfonate
SMILESC=CN1C=CN(S(=O)(=O)OCCC)C1
InChIInChI=1S/C8H14N2O3S/c1-3-7-13-14(11,12)10-6-5-9(4-2)8-10/h4-6H,2-3,7-8H2,1H3
InChIKeyNDCQOAHRDWZTSC-UHFFFAOYSA-N
MW218.28 g/mol
LogP0.85
Rot. Bonds5

About propyl 3-ethenyl-2H-imidazole-1-sulfonate

propyl 3-ethenyl-2H-imidazole-1-sulfonate (PubChem CID 175190318) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is propyl 3-ethenyl-2H-imidazole-1-sulfonate.

Molecular Properties

Compound Namepropyl 3-ethenyl-2H-imidazole-1-sulfonate
PubChem CID175190318
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Namepropyl 3-ethenyl-2H-imidazole-1-sulfonate
SMILESC=CN1C=CN(S(=O)(=O)OCCC)C1
InChIInChI=1S/C8H14N2O3S/c1-3-7-13-14(11,12)10-6-5-9(4-2)8-10/h4-6H,2-3,7-8H2,1H3
InChIKeyNDCQOAHRDWZTSC-UHFFFAOYSA-N
XLogP0.85
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 3-ethenyl-2H-imidazole-1-sulfonate?
The IUPAC name of propyl 3-ethenyl-2H-imidazole-1-sulfonate (CID 175190318) is propyl 3-ethenyl-2H-imidazole-1-sulfonate.
What is the SMILES notation for propyl 3-ethenyl-2H-imidazole-1-sulfonate?
The canonical SMILES for propyl 3-ethenyl-2H-imidazole-1-sulfonate is C=CN1C=CN(S(=O)(=O)OCCC)C1.
What is the InChIKey of propyl 3-ethenyl-2H-imidazole-1-sulfonate?
The InChIKey is NDCQOAHRDWZTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-3-7-13-14(11,12)10-6-5-9(4-2)8-10/h4-6H,2-3,7-8H2,1H3.
What are the key properties of propyl 3-ethenyl-2H-imidazole-1-sulfonate?
propyl 3-ethenyl-2H-imidazole-1-sulfonate has a molecular weight of 218.28 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-ethenyl-2H-imidazole-1-sulfonate is sourced from PubChem (CID 175190318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).