N-(4-methylpentan-2-yl)-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide

C12H20F3NO3S — CID 126840780

IUPACN-(4-methylpentan-2-yl)-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide
SMILESCC(C)CC(C)NC(=O)C1CS(=O)(=O)CC1C(F)(F)F
InChIInChI=1S/C12H20F3NO3S/c1-7(2)4-8(3)16-11(17)9-5-20(18,19)6-10(9)12(13,14)15/h7-10H,4-6H2,1-3H3,(H,16,17)
InChIKeyDWDOVLXIAFXLJV-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.76
Rot. Bonds4

About N-(4-methylpentan-2-yl)-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide

N-(4-methylpentan-2-yl)-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide (PubChem CID 126840780) has the molecular formula C12H20F3NO3S and a molecular weight of 315.36 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide
PubChem CID126840780
Molecular FormulaC12H20F3NO3S
Molecular Weight315.36 g/mol
Exact Mass315.11
IUPAC NameN-(4-methylpentan-2-yl)-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide
SMILESCC(C)CC(C)NC(=O)C1CS(=O)(=O)CC1C(F)(F)F
InChIInChI=1S/C12H20F3NO3S/c1-7(2)4-8(3)16-11(17)9-5-20(18,19)6-10(9)12(13,14)15/h7-10H,4-6H2,1-3H3,(H,16,17)
InChIKeyDWDOVLXIAFXLJV-UHFFFAOYSA-N
XLogP1.76
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methylpentan-2-yl)-1,1-dioxo-4-(trifluoromethyl)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

1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)-1lambda6-thiolane-3-carboxamide
CID 126840781
N-(1-cyclopropylethyl)-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
CID 71899349
N-(1-ethoxy-3-methylbutan-2-yl)-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide
CID 126840459
(1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide
CID 164634854
5,5,6,6,6-pentafluoro-2-methyl-N-propan-2-yl-2-(3,3,3-trifluoropropylsulfonyl)hexanamide
CID 57788396
2-methyl-N-[3-methyl-4,4-bis(trifluoromethylsulfonyl)butan-2-yl]butanamide
CID 89707112
(2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 130294141
1,1-dioxo-N-[2-(trifluoromethylsulfanyl)ethyl]thiolane-3-carboxamide
CID 47042758
1,1-dioxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
CID 64912128
1,1-dioxo-N-[6-(trifluoromethyl)piperidin-3-yl]thiolane-3-carboxamide
CID 82812392
1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
CID 86909623
(3S)-1,1-dioxo-N-[2-(trifluoromethylsulfanyl)ethyl]thiolane-3-carboxamide
CID 94181012

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide?
The IUPAC name of N-(4-methylpentan-2-yl)-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide (CID 126840780) is N-(4-methylpentan-2-yl)-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide.
What is the SMILES notation for N-(4-methylpentan-2-yl)-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide?
The canonical SMILES for N-(4-methylpentan-2-yl)-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide is CC(C)CC(C)NC(=O)C1CS(=O)(=O)CC1C(F)(F)F.
What is the InChIKey of N-(4-methylpentan-2-yl)-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide?
The InChIKey is DWDOVLXIAFXLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3S/c1-7(2)4-8(3)16-11(17)9-5-20(18,19)6-10(9)12(13,14)15/h7-10H,4-6H2,1-3H3,(H,16,17).
What are the key properties of N-(4-methylpentan-2-yl)-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide?
N-(4-methylpentan-2-yl)-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide has a molecular weight of 315.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide is sourced from PubChem (CID 126840780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).