2-[[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine

C10H20F3N3O3S — CID 106609905

IUPAC2-[[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine
SMILESCOCCN(CC1CCCN1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O3S/c1-19-6-5-16(7-9-3-2-4-14-9)20(17,18)15-8-10(11,12)13/h9,14-15H,2-8H2,1H3
InChIKeyWSGBXEDVMIYBRM-UHFFFAOYSA-N
MW319.35 g/mol
LogP0.08
Rot. Bonds8

About 2-[[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine

2-[[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine (PubChem CID 106609905) has the molecular formula C10H20F3N3O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine
PubChem CID106609905
Molecular FormulaC10H20F3N3O3S
Molecular Weight319.35 g/mol
Exact Mass319.12
IUPAC Name2-[[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine
SMILESCOCCN(CC1CCCN1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O3S/c1-19-6-5-16(7-9-3-2-4-14-9)20(17,18)15-8-10(11,12)13/h9,14-15H,2-8H2,1H3
InChIKeyWSGBXEDVMIYBRM-UHFFFAOYSA-N
XLogP0.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 106614013
N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-methyloxetan-3-amine
CID 172334495
N-[(4,4-difluoropyrrolidin-2-yl)methyl]-N-methyloxetan-3-amine
CID 172334537
ethane;N-[(3-fluoropyrrolidin-2-yl)methyl]-N-methyl-2-(trifluoromethoxy)ethanamine
CID 172335581
N-[(4,4-difluoropyrrolidin-2-yl)methyl]-N-methyloxetan-3-amine;ethane
CID 172335592
N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-ethyloxetan-3-amine
CID 172335628
N-[(4-fluoropyrrolidin-2-yl)methyl]-N-methyl-2-(trifluoromethoxy)ethanamine
CID 172335755
N-[(4,4-difluoropyrrolidin-2-yl)methyl]-N-methyl-2-(trifluoromethoxy)ethanamine
CID 172335796
ethane;N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 172335926
N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-yloxetan-3-amine
CID 176601999
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 54962062
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]ethanamine
CID 55092459

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine?
The IUPAC name of 2-[[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine (CID 106609905) is 2-[[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine.
What is the SMILES notation for 2-[[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine?
The canonical SMILES for 2-[[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine is COCCN(CC1CCCN1)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine?
The InChIKey is WSGBXEDVMIYBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O3S/c1-19-6-5-16(7-9-3-2-4-14-9)20(17,18)15-8-10(11,12)13/h9,14-15H,2-8H2,1H3.
What are the key properties of 2-[[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine?
2-[[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine has a molecular weight of 319.35 g/mol, XLogP of 0.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine is sourced from PubChem (CID 106609905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).