2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid

C10H19F3N2O4S — CID 107424581

IUPAC2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O4S/c1-14(2)5-6-15(8-9(16)17)20(18,19)7-3-4-10(11,12)13/h3-8H2,1-2H3,(H,16,17)
InChIKeyRYZZTXPXCMOYTA-UHFFFAOYSA-N
MW320.33 g/mol
LogP0.61
Rot. Bonds9

About 2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid (PubChem CID 107424581) has the molecular formula C10H19F3N2O4S and a molecular weight of 320.33 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid
PubChem CID107424581
Molecular FormulaC10H19F3N2O4S
Molecular Weight320.33 g/mol
Exact Mass320.10
IUPAC Name2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O4S/c1-14(2)5-6-15(8-9(16)17)20(18,19)7-3-4-10(11,12)13/h3-8H2,1-2H3,(H,16,17)
InChIKeyRYZZTXPXCMOYTA-UHFFFAOYSA-N
XLogP0.61
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid (CID 107424581) is 2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid is CN(C)CCN(CC(=O)O)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid?
The InChIKey is RYZZTXPXCMOYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O4S/c1-14(2)5-6-15(8-9(16)17)20(18,19)7-3-4-10(11,12)13/h3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid has a molecular weight of 320.33 g/mol, XLogP of 0.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(4,4,4-trifluorobutylsulfonyl)amino]acetic acid is sourced from PubChem (CID 107424581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).