2-[(2-thiophen-2-ylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C10H10F3NO3S2 — CID 79257981

IUPAC2-[(2-thiophen-2-ylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)CSc1cccs1
InChIInChI=1S/C10H10F3NO3S2/c11-10(12,13)6-14(4-8(16)17)7(15)5-19-9-2-1-3-18-9/h1-3H,4-6H2,(H,16,17)
InChIKeyCYSLAQQWVUGIFE-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.32
Rot. Bonds6

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

2-[(2-thiophen-2-ylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257981) has the molecular formula C10H10F3NO3S2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-[(2-thiophen-2-ylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-thiophen-2-ylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257981
Molecular FormulaC10H10F3NO3S2
Molecular Weight313.32 g/mol
Exact Mass313.01
IUPAC Name2-[(2-thiophen-2-ylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)CSc1cccs1
InChIInChI=1S/C10H10F3NO3S2/c11-10(12,13)6-14(4-8(16)17)7(15)5-19-9-2-1-3-18-9/h1-3H,4-6H2,(H,16,17)
InChIKeyCYSLAQQWVUGIFE-UHFFFAOYSA-N
XLogP2.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-thiophen-2-ylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-thiophen-2-ylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257981) is 2-[(2-thiophen-2-ylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-thiophen-2-ylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-thiophen-2-ylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)CSc1cccs1.
What is the InChIKey of 2-[(2-thiophen-2-ylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is CYSLAQQWVUGIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3S2/c11-10(12,13)6-14(4-8(16)17)7(15)5-19-9-2-1-3-18-9/h1-3H,4-6H2,(H,16,17).
What are the key properties of 2-[(2-thiophen-2-ylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-thiophen-2-ylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 313.32 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-thiophen-2-ylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).