1-(2-propylsulfonylethyl)imidazole

C8H14N2O2S — CID 75386552

IUPAC1-(2-propylsulfonylethyl)imidazole
SMILESCCCS(=O)(=O)CCn1ccnc1
InChIInChI=1S/C8H14N2O2S/c1-2-6-13(11,12)7-5-10-4-3-9-8-10/h3-4,8H,2,5-7H2,1H3
InChIKeyLMOBDNJAGWPCFL-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.71
Rot. Bonds5

About 1-(2-propylsulfonylethyl)imidazole

1-(2-propylsulfonylethyl)imidazole (PubChem CID 75386552) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 1-(2-propylsulfonylethyl)imidazole.

Molecular Properties

Compound Name1-(2-propylsulfonylethyl)imidazole
PubChem CID75386552
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name1-(2-propylsulfonylethyl)imidazole
SMILESCCCS(=O)(=O)CCn1ccnc1
InChIInChI=1S/C8H14N2O2S/c1-2-6-13(11,12)7-5-10-4-3-9-8-10/h3-4,8H,2,5-7H2,1H3
InChIKeyLMOBDNJAGWPCFL-UHFFFAOYSA-N
XLogP0.71
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propylsulfonylethyl)imidazole?
The IUPAC name of 1-(2-propylsulfonylethyl)imidazole (CID 75386552) is 1-(2-propylsulfonylethyl)imidazole.
What is the SMILES notation for 1-(2-propylsulfonylethyl)imidazole?
The canonical SMILES for 1-(2-propylsulfonylethyl)imidazole is CCCS(=O)(=O)CCn1ccnc1.
What is the InChIKey of 1-(2-propylsulfonylethyl)imidazole?
The InChIKey is LMOBDNJAGWPCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-2-6-13(11,12)7-5-10-4-3-9-8-10/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 1-(2-propylsulfonylethyl)imidazole?
1-(2-propylsulfonylethyl)imidazole has a molecular weight of 202.28 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylsulfonylethyl)imidazole is sourced from PubChem (CID 75386552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).