4-[[bis(2-methoxyethyl)amino]methyl]-2-methylimidazole-1-sulfinyl fluoride

C11H20FN3O3S — CID 54343647

IUPAC4-[[bis(2-methoxyethyl)amino]methyl]-2-methylimidazole-1-sulfinyl fluoride
SMILESCOCCN(CCOC)Cc1cn(S(=O)F)c(C)n1
InChIInChI=1S/C11H20FN3O3S/c1-10-13-11(9-15(10)19(12)16)8-14(4-6-17-2)5-7-18-3/h9H,4-8H2,1-3H3
InChIKeyUASVCPUTFOBMPL-UHFFFAOYSA-N
MW293.36 g/mol
LogP0.68
Rot. Bonds9

About 4-[[bis(2-methoxyethyl)amino]methyl]-2-methylimidazole-1-sulfinyl fluoride

4-[[bis(2-methoxyethyl)amino]methyl]-2-methylimidazole-1-sulfinyl fluoride (PubChem CID 54343647) has the molecular formula C11H20FN3O3S and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-[[bis(2-methoxyethyl)amino]methyl]-2-methylimidazole-1-sulfinyl fluoride.

Molecular Properties

Compound Name4-[[bis(2-methoxyethyl)amino]methyl]-2-methylimidazole-1-sulfinyl fluoride
PubChem CID54343647
Molecular FormulaC11H20FN3O3S
Molecular Weight293.36 g/mol
Exact Mass293.12
IUPAC Name4-[[bis(2-methoxyethyl)amino]methyl]-2-methylimidazole-1-sulfinyl fluoride
SMILESCOCCN(CCOC)Cc1cn(S(=O)F)c(C)n1
InChIInChI=1S/C11H20FN3O3S/c1-10-13-11(9-15(10)19(12)16)8-14(4-6-17-2)5-7-18-3/h9H,4-8H2,1-3H3
InChIKeyUASVCPUTFOBMPL-UHFFFAOYSA-N
XLogP0.68
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[bis(2-methoxyethyl)amino]methyl]-2-methylimidazole-1-sulfinyl fluoride?
The IUPAC name of 4-[[bis(2-methoxyethyl)amino]methyl]-2-methylimidazole-1-sulfinyl fluoride (CID 54343647) is 4-[[bis(2-methoxyethyl)amino]methyl]-2-methylimidazole-1-sulfinyl fluoride.
What is the SMILES notation for 4-[[bis(2-methoxyethyl)amino]methyl]-2-methylimidazole-1-sulfinyl fluoride?
The canonical SMILES for 4-[[bis(2-methoxyethyl)amino]methyl]-2-methylimidazole-1-sulfinyl fluoride is COCCN(CCOC)Cc1cn(S(=O)F)c(C)n1.
What is the InChIKey of 4-[[bis(2-methoxyethyl)amino]methyl]-2-methylimidazole-1-sulfinyl fluoride?
The InChIKey is UASVCPUTFOBMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3O3S/c1-10-13-11(9-15(10)19(12)16)8-14(4-6-17-2)5-7-18-3/h9H,4-8H2,1-3H3.
What are the key properties of 4-[[bis(2-methoxyethyl)amino]methyl]-2-methylimidazole-1-sulfinyl fluoride?
4-[[bis(2-methoxyethyl)amino]methyl]-2-methylimidazole-1-sulfinyl fluoride has a molecular weight of 293.36 g/mol, XLogP of 0.68, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(2-methoxyethyl)amino]methyl]-2-methylimidazole-1-sulfinyl fluoride is sourced from PubChem (CID 54343647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).