methyl 2-[difluoromethylsulfonyl(methyl)amino]acetate

C5H9F2NO4S — CID 43624247

IUPACmethyl 2-[difluoromethylsulfonyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)C(F)F
InChIInChI=1S/C5H9F2NO4S/c1-8(3-4(9)12-2)13(10,11)5(6)7/h5H,3H2,1-2H3
InChIKeyWBXCVZSIVHVSKQ-UHFFFAOYSA-N
MW217.19 g/mol
LogP-0.36
Rot. Bonds4

About methyl 2-[difluoromethylsulfonyl(methyl)amino]acetate

methyl 2-[difluoromethylsulfonyl(methyl)amino]acetate (PubChem CID 43624247) has the molecular formula C5H9F2NO4S and a molecular weight of 217.19 g/mol. Its IUPAC name is methyl 2-[difluoromethylsulfonyl(methyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[difluoromethylsulfonyl(methyl)amino]acetate
PubChem CID43624247
Molecular FormulaC5H9F2NO4S
Molecular Weight217.19 g/mol
Exact Mass217.02
IUPAC Namemethyl 2-[difluoromethylsulfonyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)C(F)F
InChIInChI=1S/C5H9F2NO4S/c1-8(3-4(9)12-2)13(10,11)5(6)7/h5H,3H2,1-2H3
InChIKeyWBXCVZSIVHVSKQ-UHFFFAOYSA-N
XLogP-0.36
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate
CID 60865310
2-[difluoromethylsulfonyl(methyl)amino]acetic acid
CID 28606630
methyl 2-[methyl(2-methylsulfonylethylsulfonyl)amino]acetate
CID 63242882
methyl 2-[2-chloroethylsulfonyl(methyl)amino]acetate
CID 107650512
methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 60658617
methyl 2-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]acetate
CID 43507226
methyl 2-[propan-2-yl(sulfamoyl)amino]acetate
CID 61074091
methyl 2-[methanidyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 123211502
methyl 2-[ethyl(methylsulfamoyl)amino]acetate
CID 114811545
methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 3685152
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
methyl 2-[2-hydroxypropyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955024

Frequently Asked Questions

What is the IUPAC name of methyl 2-[difluoromethylsulfonyl(methyl)amino]acetate?
The IUPAC name of methyl 2-[difluoromethylsulfonyl(methyl)amino]acetate (CID 43624247) is methyl 2-[difluoromethylsulfonyl(methyl)amino]acetate.
What is the SMILES notation for methyl 2-[difluoromethylsulfonyl(methyl)amino]acetate?
The canonical SMILES for methyl 2-[difluoromethylsulfonyl(methyl)amino]acetate is COC(=O)CN(C)S(=O)(=O)C(F)F.
What is the InChIKey of methyl 2-[difluoromethylsulfonyl(methyl)amino]acetate?
The InChIKey is WBXCVZSIVHVSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO4S/c1-8(3-4(9)12-2)13(10,11)5(6)7/h5H,3H2,1-2H3.
What are the key properties of methyl 2-[difluoromethylsulfonyl(methyl)amino]acetate?
methyl 2-[difluoromethylsulfonyl(methyl)amino]acetate has a molecular weight of 217.19 g/mol, XLogP of -0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[difluoromethylsulfonyl(methyl)amino]acetate is sourced from PubChem (CID 43624247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).