4-[1-[bis(2-methoxyethyl)amino]ethyl]-2-ethylimidazole-1-sulfinyl fluoride

C13H24FN3O3S — CID 54505841

IUPAC4-[1-[bis(2-methoxyethyl)amino]ethyl]-2-ethylimidazole-1-sulfinyl fluoride
SMILESCCc1nc(C(C)N(CCOC)CCOC)cn1S(=O)F
InChIInChI=1S/C13H24FN3O3S/c1-5-13-15-12(10-17(13)21(14)18)11(2)16(6-8-19-3)7-9-20-4/h10-11H,5-9H2,1-4H3
InChIKeyYFQDPATWAUJSLU-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.50
Rot. Bonds10

About 4-[1-[bis(2-methoxyethyl)amino]ethyl]-2-ethylimidazole-1-sulfinyl fluoride

4-[1-[bis(2-methoxyethyl)amino]ethyl]-2-ethylimidazole-1-sulfinyl fluoride (PubChem CID 54505841) has the molecular formula C13H24FN3O3S and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-[1-[bis(2-methoxyethyl)amino]ethyl]-2-ethylimidazole-1-sulfinyl fluoride.

Molecular Properties

Compound Name4-[1-[bis(2-methoxyethyl)amino]ethyl]-2-ethylimidazole-1-sulfinyl fluoride
PubChem CID54505841
Molecular FormulaC13H24FN3O3S
Molecular Weight321.42 g/mol
Exact Mass321.15
IUPAC Name4-[1-[bis(2-methoxyethyl)amino]ethyl]-2-ethylimidazole-1-sulfinyl fluoride
SMILESCCc1nc(C(C)N(CCOC)CCOC)cn1S(=O)F
InChIInChI=1S/C13H24FN3O3S/c1-5-13-15-12(10-17(13)21(14)18)11(2)16(6-8-19-3)7-9-20-4/h10-11H,5-9H2,1-4H3
InChIKeyYFQDPATWAUJSLU-UHFFFAOYSA-N
XLogP1.50
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[bis(2-methoxyethyl)amino]ethyl]-2-ethylimidazole-1-sulfinyl fluoride?
The IUPAC name of 4-[1-[bis(2-methoxyethyl)amino]ethyl]-2-ethylimidazole-1-sulfinyl fluoride (CID 54505841) is 4-[1-[bis(2-methoxyethyl)amino]ethyl]-2-ethylimidazole-1-sulfinyl fluoride.
What is the SMILES notation for 4-[1-[bis(2-methoxyethyl)amino]ethyl]-2-ethylimidazole-1-sulfinyl fluoride?
The canonical SMILES for 4-[1-[bis(2-methoxyethyl)amino]ethyl]-2-ethylimidazole-1-sulfinyl fluoride is CCc1nc(C(C)N(CCOC)CCOC)cn1S(=O)F.
What is the InChIKey of 4-[1-[bis(2-methoxyethyl)amino]ethyl]-2-ethylimidazole-1-sulfinyl fluoride?
The InChIKey is YFQDPATWAUJSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN3O3S/c1-5-13-15-12(10-17(13)21(14)18)11(2)16(6-8-19-3)7-9-20-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-[1-[bis(2-methoxyethyl)amino]ethyl]-2-ethylimidazole-1-sulfinyl fluoride?
4-[1-[bis(2-methoxyethyl)amino]ethyl]-2-ethylimidazole-1-sulfinyl fluoride has a molecular weight of 321.42 g/mol, XLogP of 1.50, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[bis(2-methoxyethyl)amino]ethyl]-2-ethylimidazole-1-sulfinyl fluoride is sourced from PubChem (CID 54505841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).