methyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl-methylamino]propanoate

C8H16F2N2O5S — CID 103836847

IUPACmethyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C8H16F2N2O5S/c1-12(4-3-7(14)17-2)18(15,16)11-5-6(13)8(9)10/h6,8,11,13H,3-5H2,1-2H3
InChIKeyBLWJHCONPYLJAB-UHFFFAOYSA-N
MW290.29 g/mol
LogP-1.06
Rot. Bonds8

About methyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl-methylamino]propanoate

methyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl-methylamino]propanoate (PubChem CID 103836847) has the molecular formula C8H16F2N2O5S and a molecular weight of 290.29 g/mol. Its IUPAC name is methyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl-methylamino]propanoate
PubChem CID103836847
Molecular FormulaC8H16F2N2O5S
Molecular Weight290.29 g/mol
Exact Mass290.07
IUPAC Namemethyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C8H16F2N2O5S/c1-12(4-3-7(14)17-2)18(15,16)11-5-6(13)8(9)10/h6,8,11,13H,3-5H2,1-2H3
InChIKeyBLWJHCONPYLJAB-UHFFFAOYSA-N
XLogP-1.06
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl-methylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-methylamino]propanoate
CID 65684181
Methyl 3-[methyl(3,3,3-trifluoropropylsulfamoyl)amino]propanoate
CID 65684806
Methyl 3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propanoate
CID 65685203
3-[Methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propanoic acid
CID 65685204
Methyl 3-[methyl(4,4,4-trifluorobutylsulfamoyl)amino]propanoate
CID 79770609
3-[Methyl-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]amino]propanoic acid
CID 105642806
3-[(3,3-Difluoro-2-hydroxypropyl)sulfamoyl-methylamino]propanoic acid
CID 105642961
3-[2-(2,2-Difluoroethoxy)ethylsulfamoyl-methylamino]propanoic acid
CID 105907985
3-[(2,2-Difluoro-3-hydroxypropyl)sulfamoyl-methylamino]propanoic acid
CID 106168664
Methyl 3-[[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]-methylamino]propanoate
CID 107479014
Methyl 3-[methyl-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]amino]propanoate
CID 113317193
Methyl 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]propanoate
CID 113462885

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl-methylamino]propanoate?
The IUPAC name of methyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl-methylamino]propanoate (CID 103836847) is methyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl-methylamino]propanoate?
The canonical SMILES for methyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl-methylamino]propanoate is COC(=O)CCN(C)S(=O)(=O)NCC(O)C(F)F.
What is the InChIKey of methyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl-methylamino]propanoate?
The InChIKey is BLWJHCONPYLJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O5S/c1-12(4-3-7(14)17-2)18(15,16)11-5-6(13)8(9)10/h6,8,11,13H,3-5H2,1-2H3.
What are the key properties of methyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl-methylamino]propanoate?
methyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl-methylamino]propanoate has a molecular weight of 290.29 g/mol, XLogP of -1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl-methylamino]propanoate is sourced from PubChem (CID 103836847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).