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

C7H14F2N2O4S — CID 114383986

IUPACethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)NCC(F)(F)CN
InChIInChI=1S/C7H14F2N2O4S/c1-2-15-6(12)3-16(13,14)11-5-7(8,9)4-10/h11H,2-5,10H2,1H3
InChIKeyQYPUUQURWGPRAV-UHFFFAOYSA-N
MW260.26 g/mol
LogP-0.94
Rot. Bonds7

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

ethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate (PubChem CID 114383986) has the molecular formula C7H14F2N2O4S and a molecular weight of 260.26 g/mol. Its IUPAC name is ethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate
PubChem CID114383986
Molecular FormulaC7H14F2N2O4S
Molecular Weight260.26 g/mol
Exact Mass260.06
IUPAC Nameethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)NCC(F)(F)CN
InChIInChI=1S/C7H14F2N2O4S/c1-2-15-6(12)3-16(13,14)11-5-7(8,9)4-10/h11H,2-5,10H2,1H3
InChIKeyQYPUUQURWGPRAV-UHFFFAOYSA-N
XLogP-0.94
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate
CID 114383948
methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate
CID 61457245
ethyl 2-(2-methoxyethylsulfamoyl)acetate
CID 62544965
ethyl 2-(3-sulfamoylpropylsulfamoyl)acetate
CID 61457286
ethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate
CID 66108874
ethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate
CID 54952527
(2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid
CID 107835309
ethyl 2-[(2-amino-1-cyclopropylethyl)sulfamoyl]acetate
CID 65189082
2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine
CID 114811374
2-[(2-ethoxy-2-methylpropyl)sulfamoyl]acetic acid
CID 114940667
ethyl 2-aminoacetate
CID 45039361
ethyl 2-sulfamoylacetate;hydrochloride
CID 141070961

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate (CID 114383986) is ethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)NCC(F)(F)CN.
What is the InChIKey of ethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate?
The InChIKey is QYPUUQURWGPRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O4S/c1-2-15-6(12)3-16(13,14)11-5-7(8,9)4-10/h11H,2-5,10H2,1H3.
What are the key properties of ethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate?
ethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate has a molecular weight of 260.26 g/mol, XLogP of -0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate is sourced from PubChem (CID 114383986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).