1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide

C7H10F3NO3S — CID 86909623

IUPAC1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H10F3NO3S/c8-7(9,10)4-11-6(12)5-1-2-15(13,14)3-5/h5H,1-4H2,(H,11,12)
InChIKeyFXSQFTLWNZKDRO-UHFFFAOYSA-N
MW245.22 g/mol
LogP0.10
Rot. Bonds2

About 1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide

1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide (PubChem CID 86909623) has the molecular formula C7H10F3NO3S and a molecular weight of 245.22 g/mol. Its IUPAC name is 1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
PubChem CID86909623
Molecular FormulaC7H10F3NO3S
Molecular Weight245.22 g/mol
Exact Mass245.03
IUPAC Name1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H10F3NO3S/c8-7(9,10)4-11-6(12)5-1-2-15(13,14)3-5/h5H,1-4H2,(H,11,12)
InChIKeyFXSQFTLWNZKDRO-UHFFFAOYSA-N
XLogP0.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide 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

N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoroacetamide
CID 43859554
N-[3,3-bis(trifluoromethylsulfonyl)propyl]-2-methylbutanamide
CID 89707097
(2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 130294141
N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide
CID 142294702
N-(1,1-dioxothiolan-2-yl)-2,2,2-trifluoroacetamide
CID 150291440
2-methyl-N-(3,3,3-trifluoro-2-methylsulfonylpropyl)propanamide
CID 164739924
2-methyl-N-(4,4,4-trifluoro-3-methylsulfonylbutyl)propanamide
CID 167018805
1,1-dioxo-N-[2-(trifluoromethylsulfanyl)ethyl]thiolane-3-carboxamide
CID 47042758
N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoropropanamide
CID 51076767
N-(3,3-dimethylbutyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
CID 53330516
2-[(1,1-dioxothiolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60976405
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 62492521

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide?
The IUPAC name of 1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide (CID 86909623) is 1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide?
The canonical SMILES for 1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide is O=C(NCC(F)(F)F)C1CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide?
The InChIKey is FXSQFTLWNZKDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3S/c8-7(9,10)4-11-6(12)5-1-2-15(13,14)3-5/h5H,1-4H2,(H,11,12).
What are the key properties of 1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide?
1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide has a molecular weight of 245.22 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide is sourced from PubChem (CID 86909623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).