2-[cyclopentylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid

C9H14F3NO4S — CID 105360897

IUPAC2-[cyclopentylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)S(=O)(=O)C1CCCC1
InChIInChI=1S/C9H14F3NO4S/c10-9(11,12)6-13(5-8(14)15)18(16,17)7-3-1-2-4-7/h7H,1-6H2,(H,14,15)
InChIKeyQAEJNPCJBFWSMF-UHFFFAOYSA-N
MW289.28 g/mol
LogP1.21
Rot. Bonds5

About 2-[cyclopentylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[cyclopentylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 105360897) has the molecular formula C9H14F3NO4S and a molecular weight of 289.28 g/mol. Its IUPAC name is 2-[cyclopentylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID105360897
Molecular FormulaC9H14F3NO4S
Molecular Weight289.28 g/mol
Exact Mass289.06
IUPAC Name2-[cyclopentylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)S(=O)(=O)C1CCCC1
InChIInChI=1S/C9H14F3NO4S/c10-9(11,12)6-13(5-8(14)15)18(16,17)7-3-1-2-4-7/h7H,1-6H2,(H,14,15)
InChIKeyQAEJNPCJBFWSMF-UHFFFAOYSA-N
XLogP1.21
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Glycine, N-ethyl-N-[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]-
CID 105441
N-ethyl-N-((undecafluoropentyl)sulphonyl)glycine
CID 105443
Glycine, N-ethyl-N-((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)-
CID 105445
Glycine, N-ethyl-N-((1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)sulfonyl)-
CID 105456
N-[(Perfluorobutyl)sulfonyl]-N-propylglycine
CID 86068660
2-[Propyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]acetic acid
CID 18362323
2-[1,1,2,2,2-Pentafluoroethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]acetic acid
CID 18362322
2-[Methyl-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylamino]acetic acid
CID 58901138
Sodium 2-[ethyl(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfonyl)amino]acetate
CID 58963603
2-[Ethyl(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfonyl)amino]acetic acid
CID 58963604
2-[Methyl-(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]acetic acid
CID 87159158
2-[Ethyl(octylsulfonyl)amino]-2,2-difluoroacetic acid
CID 175309731

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 105360897) is 2-[cyclopentylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)S(=O)(=O)C1CCCC1.
What is the InChIKey of 2-[cyclopentylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is QAEJNPCJBFWSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO4S/c10-9(11,12)6-13(5-8(14)15)18(16,17)7-3-1-2-4-7/h7H,1-6H2,(H,14,15).
What are the key properties of 2-[cyclopentylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[cyclopentylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 289.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 105360897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).