(4R)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide

C13H17F3N2OS2 — CID 96563177

IUPAC(4R)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
SMILESCN(CCNC(=O)[C@@H]1SCCc2sccc21)CC(F)(F)F
InChIInChI=1S/C13H17F3N2OS2/c1-18(8-13(14,15)16)5-4-17-12(19)11-9-2-6-20-10(9)3-7-21-11/h2,6,11H,3-5,7-8H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyOHTXUTPAEKCRKF-LLVKDONJSA-N
MW338.42 g/mol
LogP2.69
Rot. Bonds5

About (4R)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide

(4R)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide (PubChem CID 96563177) has the molecular formula C13H17F3N2OS2 and a molecular weight of 338.42 g/mol. Its IUPAC name is (4R)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
PubChem CID96563177
Molecular FormulaC13H17F3N2OS2
Molecular Weight338.42 g/mol
Exact Mass338.07
IUPAC Name(4R)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
SMILESCN(CCNC(=O)[C@@H]1SCCc2sccc21)CC(F)(F)F
InChIInChI=1S/C13H17F3N2OS2/c1-18(8-13(14,15)16)5-4-17-12(19)11-9-2-6-20-10(9)3-7-21-11/h2,6,11H,3-5,7-8H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyOHTXUTPAEKCRKF-LLVKDONJSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-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 (4R)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
The IUPAC name of (4R)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide (CID 96563177) is (4R)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide.
What is the SMILES notation for (4R)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
The canonical SMILES for (4R)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide is CN(CCNC(=O)[C@@H]1SCCc2sccc21)CC(F)(F)F.
What is the InChIKey of (4R)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
The InChIKey is OHTXUTPAEKCRKF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17F3N2OS2/c1-18(8-13(14,15)16)5-4-17-12(19)11-9-2-6-20-10(9)3-7-21-11/h2,6,11H,3-5,7-8H2,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of (4R)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
(4R)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide is sourced from PubChem (CID 96563177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).