5-[1-(dimethylamino)ethyl]-2-ethylimidazole-1-sulfinyl fluoride

C9H16FN3OS — CID 54282232

IUPAC5-[1-(dimethylamino)ethyl]-2-ethylimidazole-1-sulfinyl fluoride
SMILESCCc1ncc(C(C)N(C)C)n1S(=O)F
InChIInChI=1S/C9H16FN3OS/c1-5-9-11-6-8(7(2)12(3)4)13(9)15(10)14/h6-7H,5H2,1-4H3
InChIKeyRROTUZYMUPXULY-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.46
Rot. Bonds4

About 5-[1-(dimethylamino)ethyl]-2-ethylimidazole-1-sulfinyl fluoride

5-[1-(dimethylamino)ethyl]-2-ethylimidazole-1-sulfinyl fluoride (PubChem CID 54282232) has the molecular formula C9H16FN3OS and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-[1-(dimethylamino)ethyl]-2-ethylimidazole-1-sulfinyl fluoride.

Molecular Properties

Compound Name5-[1-(dimethylamino)ethyl]-2-ethylimidazole-1-sulfinyl fluoride
PubChem CID54282232
Molecular FormulaC9H16FN3OS
Molecular Weight233.31 g/mol
Exact Mass233.10
IUPAC Name5-[1-(dimethylamino)ethyl]-2-ethylimidazole-1-sulfinyl fluoride
SMILESCCc1ncc(C(C)N(C)C)n1S(=O)F
InChIInChI=1S/C9H16FN3OS/c1-5-9-11-6-8(7(2)12(3)4)13(9)15(10)14/h6-7H,5H2,1-4H3
InChIKeyRROTUZYMUPXULY-UHFFFAOYSA-N
XLogP1.46
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(dimethylamino)ethyl]-2-ethylimidazole-1-sulfinyl fluoride?
The IUPAC name of 5-[1-(dimethylamino)ethyl]-2-ethylimidazole-1-sulfinyl fluoride (CID 54282232) is 5-[1-(dimethylamino)ethyl]-2-ethylimidazole-1-sulfinyl fluoride.
What is the SMILES notation for 5-[1-(dimethylamino)ethyl]-2-ethylimidazole-1-sulfinyl fluoride?
The canonical SMILES for 5-[1-(dimethylamino)ethyl]-2-ethylimidazole-1-sulfinyl fluoride is CCc1ncc(C(C)N(C)C)n1S(=O)F.
What is the InChIKey of 5-[1-(dimethylamino)ethyl]-2-ethylimidazole-1-sulfinyl fluoride?
The InChIKey is RROTUZYMUPXULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3OS/c1-5-9-11-6-8(7(2)12(3)4)13(9)15(10)14/h6-7H,5H2,1-4H3.
What are the key properties of 5-[1-(dimethylamino)ethyl]-2-ethylimidazole-1-sulfinyl fluoride?
5-[1-(dimethylamino)ethyl]-2-ethylimidazole-1-sulfinyl fluoride has a molecular weight of 233.31 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(dimethylamino)ethyl]-2-ethylimidazole-1-sulfinyl fluoride is sourced from PubChem (CID 54282232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).