2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluoro-N-methylbutanamide

C8H13F3N2O3S — CID 175988361

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluoro-N-methylbutanamide
SMILESCNC(=O)C(CC(F)(F)F)N1CCCS1(=O)=O
InChIInChI=1S/C8H13F3N2O3S/c1-12-7(14)6(5-8(9,10)11)13-3-2-4-17(13,15)16/h6H,2-5H2,1H3,(H,12,14)
InChIKeyVFXAOPGTBNOCOX-UHFFFAOYSA-N
MW274.26 g/mol
LogP0.09
Rot. Bonds3

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluoro-N-methylbutanamide

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluoro-N-methylbutanamide (PubChem CID 175988361) has the molecular formula C8H13F3N2O3S and a molecular weight of 274.26 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluoro-N-methylbutanamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluoro-N-methylbutanamide
PubChem CID175988361
Molecular FormulaC8H13F3N2O3S
Molecular Weight274.26 g/mol
Exact Mass274.06
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluoro-N-methylbutanamide
SMILESCNC(=O)C(CC(F)(F)F)N1CCCS1(=O)=O
InChIInChI=1S/C8H13F3N2O3S/c1-12-7(14)6(5-8(9,10)11)13-3-2-4-17(13,15)16/h6H,2-5H2,1H3,(H,12,14)
InChIKeyVFXAOPGTBNOCOX-UHFFFAOYSA-N
XLogP0.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluoro-N-methylbutanamide?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluoro-N-methylbutanamide (CID 175988361) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluoro-N-methylbutanamide.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluoro-N-methylbutanamide?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluoro-N-methylbutanamide is CNC(=O)C(CC(F)(F)F)N1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluoro-N-methylbutanamide?
The InChIKey is VFXAOPGTBNOCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3S/c1-12-7(14)6(5-8(9,10)11)13-3-2-4-17(13,15)16/h6H,2-5H2,1H3,(H,12,14).
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluoro-N-methylbutanamide?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluoro-N-methylbutanamide has a molecular weight of 274.26 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluoro-N-methylbutanamide is sourced from PubChem (CID 175988361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).