methyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate

C6H12F2N2O4S — CID 114383948

IUPACmethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NCC(F)(F)CN
InChIInChI=1S/C6H12F2N2O4S/c1-14-5(11)2-15(12,13)10-4-6(7,8)3-9/h10H,2-4,9H2,1H3
InChIKeyZQZNEWHWYGPXIQ-UHFFFAOYSA-N
MW246.23 g/mol
LogP-1.33
Rot. Bonds6

About methyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate

methyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate (PubChem CID 114383948) has the molecular formula C6H12F2N2O4S and a molecular weight of 246.23 g/mol. Its IUPAC name is methyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate
PubChem CID114383948
Molecular FormulaC6H12F2N2O4S
Molecular Weight246.23 g/mol
Exact Mass246.05
IUPAC Namemethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NCC(F)(F)CN
InChIInChI=1S/C6H12F2N2O4S/c1-14-5(11)2-15(12,13)10-4-6(7,8)3-9/h10H,2-4,9H2,1H3
InChIKeyZQZNEWHWYGPXIQ-UHFFFAOYSA-N
XLogP-1.33
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate
CID 114383986
methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate
CID 113334739
methyl 2-(methylsulfamoyl)acetate
CID 61360320
methyl 2-(2-methylpropylsulfamoyl)acetate
CID 63928470
2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine
CID 114811374
methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate
CID 61457245
methyl 4-(2,2,2-trifluoroethylsulfamoyl)butanoate
CID 61460318
methyl 2-(5-hydroxypentylsulfamoyl)acetate
CID 107319424
2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474747
methyl 2-(2-cyanoethylsulfamoyl)acetate
CID 62653120
methyl 2-(3-aminobutan-2-ylsulfonyl)acetate
CID 64676350
1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 113309110

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate?
The IUPAC name of methyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate (CID 114383948) is methyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate?
The canonical SMILES for methyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate is COC(=O)CS(=O)(=O)NCC(F)(F)CN.
What is the InChIKey of methyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate?
The InChIKey is ZQZNEWHWYGPXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O4S/c1-14-5(11)2-15(12,13)10-4-6(7,8)3-9/h10H,2-4,9H2,1H3.
What are the key properties of methyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate?
methyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate has a molecular weight of 246.23 g/mol, XLogP of -1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate is sourced from PubChem (CID 114383948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).