4-[[bis(2-methoxyethyl)amino]methoxy]-2-methoxyimidazole-1-sulfinyl fluoride

C11H20FN3O5S — CID 54261761

IUPAC4-[[bis(2-methoxyethyl)amino]methoxy]-2-methoxyimidazole-1-sulfinyl fluoride
SMILESCOCCN(CCOC)COc1cn(S(=O)F)c(OC)n1
InChIInChI=1S/C11H20FN3O5S/c1-17-6-4-14(5-7-18-2)9-20-10-8-15(21(12)16)11(13-10)19-3/h8H,4-7,9H2,1-3H3
InChIKeyREABBOKJKFSVKK-UHFFFAOYSA-N
MW325.36 g/mol
LogP0.22
Rot. Bonds11

About 4-[[bis(2-methoxyethyl)amino]methoxy]-2-methoxyimidazole-1-sulfinyl fluoride

4-[[bis(2-methoxyethyl)amino]methoxy]-2-methoxyimidazole-1-sulfinyl fluoride (PubChem CID 54261761) has the molecular formula C11H20FN3O5S and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-[[bis(2-methoxyethyl)amino]methoxy]-2-methoxyimidazole-1-sulfinyl fluoride.

Molecular Properties

Compound Name4-[[bis(2-methoxyethyl)amino]methoxy]-2-methoxyimidazole-1-sulfinyl fluoride
PubChem CID54261761
Molecular FormulaC11H20FN3O5S
Molecular Weight325.36 g/mol
Exact Mass325.11
IUPAC Name4-[[bis(2-methoxyethyl)amino]methoxy]-2-methoxyimidazole-1-sulfinyl fluoride
SMILESCOCCN(CCOC)COc1cn(S(=O)F)c(OC)n1
InChIInChI=1S/C11H20FN3O5S/c1-17-6-4-14(5-7-18-2)9-20-10-8-15(21(12)16)11(13-10)19-3/h8H,4-7,9H2,1-3H3
InChIKeyREABBOKJKFSVKK-UHFFFAOYSA-N
XLogP0.22
TPSA75.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[bis(2-methoxyethyl)amino]methoxy]-2-methoxyimidazole-1-sulfinyl fluoride?
The IUPAC name of 4-[[bis(2-methoxyethyl)amino]methoxy]-2-methoxyimidazole-1-sulfinyl fluoride (CID 54261761) is 4-[[bis(2-methoxyethyl)amino]methoxy]-2-methoxyimidazole-1-sulfinyl fluoride.
What is the SMILES notation for 4-[[bis(2-methoxyethyl)amino]methoxy]-2-methoxyimidazole-1-sulfinyl fluoride?
The canonical SMILES for 4-[[bis(2-methoxyethyl)amino]methoxy]-2-methoxyimidazole-1-sulfinyl fluoride is COCCN(CCOC)COc1cn(S(=O)F)c(OC)n1.
What is the InChIKey of 4-[[bis(2-methoxyethyl)amino]methoxy]-2-methoxyimidazole-1-sulfinyl fluoride?
The InChIKey is REABBOKJKFSVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3O5S/c1-17-6-4-14(5-7-18-2)9-20-10-8-15(21(12)16)11(13-10)19-3/h8H,4-7,9H2,1-3H3.
What are the key properties of 4-[[bis(2-methoxyethyl)amino]methoxy]-2-methoxyimidazole-1-sulfinyl fluoride?
4-[[bis(2-methoxyethyl)amino]methoxy]-2-methoxyimidazole-1-sulfinyl fluoride has a molecular weight of 325.36 g/mol, XLogP of 0.22, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(2-methoxyethyl)amino]methoxy]-2-methoxyimidazole-1-sulfinyl fluoride is sourced from PubChem (CID 54261761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).