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

C12H18F3NO3S — CID 75424356

IUPACN-cyclopentyl-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
SMILESO=C(C1CCS(=O)(=O)C1)N(CC(F)(F)F)C1CCCC1
InChIInChI=1S/C12H18F3NO3S/c13-12(14,15)8-16(10-3-1-2-4-10)11(17)9-5-6-20(18,19)7-9/h9-10H,1-8H2
InChIKeyWHWXAPCLVWFLBM-UHFFFAOYSA-N
MW313.34 g/mol
LogP1.75
Rot. Bonds3

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

N-cyclopentyl-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide (PubChem CID 75424356) has the molecular formula C12H18F3NO3S and a molecular weight of 313.34 g/mol. Its IUPAC name is N-cyclopentyl-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
PubChem CID75424356
Molecular FormulaC12H18F3NO3S
Molecular Weight313.34 g/mol
Exact Mass313.10
IUPAC NameN-cyclopentyl-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
SMILESO=C(C1CCS(=O)(=O)C1)N(CC(F)(F)F)C1CCCC1
InChIInChI=1S/C12H18F3NO3S/c13-12(14,15)8-16(10-3-1-2-4-10)11(17)9-5-6-20(18,19)7-9/h9-10H,1-8H2
InChIKeyWHWXAPCLVWFLBM-UHFFFAOYSA-N
XLogP1.75
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-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

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide?
The IUPAC name of N-cyclopentyl-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide (CID 75424356) is N-cyclopentyl-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide is O=C(C1CCS(=O)(=O)C1)N(CC(F)(F)F)C1CCCC1.
What is the InChIKey of N-cyclopentyl-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide?
The InChIKey is WHWXAPCLVWFLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO3S/c13-12(14,15)8-16(10-3-1-2-4-10)11(17)9-5-6-20(18,19)7-9/h9-10H,1-8H2.
What are the key properties of N-cyclopentyl-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide?
N-cyclopentyl-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide has a molecular weight of 313.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide is sourced from PubChem (CID 75424356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).