2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl]sulfanylacetic acid

C10H15F3N2O4S — CID 104569559

IUPAC2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)CSCC(=O)O
InChIInChI=1S/C10H15F3N2O4S/c1-14(2)7(16)3-15(6-10(11,12)13)8(17)4-20-5-9(18)19/h3-6H2,1-2H3,(H,18,19)
InChIKeyRCRRSKVULOSLHL-UHFFFAOYSA-N
MW316.30 g/mol
LogP0.28
Rot. Bonds7

About 2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl]sulfanylacetic acid

2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 104569559) has the molecular formula C10H15F3N2O4S and a molecular weight of 316.30 g/mol. Its IUPAC name is 2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl]sulfanylacetic acid
PubChem CID104569559
Molecular FormulaC10H15F3N2O4S
Molecular Weight316.30 g/mol
Exact Mass316.07
IUPAC Name2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)CSCC(=O)O
InChIInChI=1S/C10H15F3N2O4S/c1-14(2)7(16)3-15(6-10(11,12)13)8(17)4-20-5-9(18)19/h3-6H2,1-2H3,(H,18,19)
InChIKeyRCRRSKVULOSLHL-UHFFFAOYSA-N
XLogP0.28
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl]sulfanylacetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl]sulfanylacetic acid (CID 104569559) is 2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl]sulfanylacetic acid is CN(C)C(=O)CN(CC(F)(F)F)C(=O)CSCC(=O)O.
What is the InChIKey of 2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is RCRRSKVULOSLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4S/c1-14(2)7(16)3-15(6-10(11,12)13)8(17)4-20-5-9(18)19/h3-6H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 316.30 g/mol, XLogP of 0.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 104569559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).