3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide

C8H12F3NO3S — CID 146124342

IUPAC3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
SMILESCC1(NC(=O)CC(F)(F)F)CCS(=O)(=O)C1
InChIInChI=1S/C8H12F3NO3S/c1-7(2-3-16(14,15)5-7)12-6(13)4-8(9,10)11/h2-5H2,1H3,(H,12,13)
InChIKeyYDKJNYNSIFOHOI-UHFFFAOYSA-N
MW259.25 g/mol
LogP0.63
Rot. Bonds2

About 3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide

3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide (PubChem CID 146124342) has the molecular formula C8H12F3NO3S and a molecular weight of 259.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
PubChem CID146124342
Molecular FormulaC8H12F3NO3S
Molecular Weight259.25 g/mol
Exact Mass259.05
IUPAC Name3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
SMILESCC1(NC(=O)CC(F)(F)F)CCS(=O)(=O)C1
InChIInChI=1S/C8H12F3NO3S/c1-7(2-3-16(14,15)5-7)12-6(13)4-8(9,10)11/h2-5H2,1H3,(H,12,13)
InChIKeyYDKJNYNSIFOHOI-UHFFFAOYSA-N
XLogP0.63
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16768977
3-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 43697281
ethyl 2,2-difluoro-3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-3-oxopropanoate
CID 112743088
5-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid
CID 60940763
5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide
CID 43697288
2-(1-aminocyclopentyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 64685407
(3R)-4,4,4-trifluoro-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-phenylbutanamide
CID 95280249
2-[[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839849
3-chloro-2-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 62727568
2-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43237327
1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide
CID 65464423
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 78963352

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide (CID 146124342) is 3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide is CC1(NC(=O)CC(F)(F)F)CCS(=O)(=O)C1.
What is the InChIKey of 3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide?
The InChIKey is YDKJNYNSIFOHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3S/c1-7(2-3-16(14,15)5-7)12-6(13)4-8(9,10)11/h2-5H2,1H3,(H,12,13).
What are the key properties of 3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide?
3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide has a molecular weight of 259.25 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide is sourced from PubChem (CID 146124342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).