methyl 3-[2,2-difluoroethylsulfamoyl(methyl)amino]propanoate

C7H14F2N2O4S — CID 79770610

IUPACmethyl 3-[2,2-difluoroethylsulfamoyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCC(F)F
InChIInChI=1S/C7H14F2N2O4S/c1-11(4-3-7(12)15-2)16(13,14)10-5-6(8)9/h6,10H,3-5H2,1-2H3
InChIKeyUMSCPTJWGGGGPC-UHFFFAOYSA-N
MW260.26 g/mol
LogP-0.42
Rot. Bonds7

About methyl 3-[2,2-difluoroethylsulfamoyl(methyl)amino]propanoate

methyl 3-[2,2-difluoroethylsulfamoyl(methyl)amino]propanoate (PubChem CID 79770610) has the molecular formula C7H14F2N2O4S and a molecular weight of 260.26 g/mol. Its IUPAC name is methyl 3-[2,2-difluoroethylsulfamoyl(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2,2-difluoroethylsulfamoyl(methyl)amino]propanoate
PubChem CID79770610
Molecular FormulaC7H14F2N2O4S
Molecular Weight260.26 g/mol
Exact Mass260.06
IUPAC Namemethyl 3-[2,2-difluoroethylsulfamoyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCC(F)F
InChIInChI=1S/C7H14F2N2O4S/c1-11(4-3-7(12)15-2)16(13,14)10-5-6(8)9/h6,10H,3-5H2,1-2H3
InChIKeyUMSCPTJWGGGGPC-UHFFFAOYSA-N
XLogP-0.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2,2-difluoroethylsulfamoyl(methyl)amino]propanoate?
The IUPAC name of methyl 3-[2,2-difluoroethylsulfamoyl(methyl)amino]propanoate (CID 79770610) is methyl 3-[2,2-difluoroethylsulfamoyl(methyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2,2-difluoroethylsulfamoyl(methyl)amino]propanoate?
The canonical SMILES for methyl 3-[2,2-difluoroethylsulfamoyl(methyl)amino]propanoate is COC(=O)CCN(C)S(=O)(=O)NCC(F)F.
What is the InChIKey of methyl 3-[2,2-difluoroethylsulfamoyl(methyl)amino]propanoate?
The InChIKey is UMSCPTJWGGGGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O4S/c1-11(4-3-7(12)15-2)16(13,14)10-5-6(8)9/h6,10H,3-5H2,1-2H3.
What are the key properties of methyl 3-[2,2-difluoroethylsulfamoyl(methyl)amino]propanoate?
methyl 3-[2,2-difluoroethylsulfamoyl(methyl)amino]propanoate has a molecular weight of 260.26 g/mol, XLogP of -0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2,2-difluoroethylsulfamoyl(methyl)amino]propanoate is sourced from PubChem (CID 79770610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).