2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanethioamide

C8H15F3N2O2S2 — CID 83058219

IUPAC2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanethioamide
SMILESCC(C)(NS(=O)(=O)CCCC(F)(F)F)C(N)=S
InChIInChI=1S/C8H15F3N2O2S2/c1-7(2,6(12)16)13-17(14,15)5-3-4-8(9,10)11/h13H,3-5H2,1-2H3,(H2,12,16)
InChIKeyYOSVPYOSTKTLDK-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.31
Rot. Bonds6

About 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanethioamide

2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanethioamide (PubChem CID 83058219) has the molecular formula C8H15F3N2O2S2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanethioamide.

Molecular Properties

Compound Name2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanethioamide
PubChem CID83058219
Molecular FormulaC8H15F3N2O2S2
Molecular Weight292.35 g/mol
Exact Mass292.05
IUPAC Name2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanethioamide
SMILESCC(C)(NS(=O)(=O)CCCC(F)(F)F)C(N)=S
InChIInChI=1S/C8H15F3N2O2S2/c1-7(2,6(12)16)13-17(14,15)5-3-4-8(9,10)11/h13H,3-5H2,1-2H3,(H2,12,16)
InChIKeyYOSVPYOSTKTLDK-UHFFFAOYSA-N
XLogP1.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanethioamide 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 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanethioamide?
The IUPAC name of 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanethioamide (CID 83058219) is 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanethioamide.
What is the SMILES notation for 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanethioamide?
The canonical SMILES for 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanethioamide is CC(C)(NS(=O)(=O)CCCC(F)(F)F)C(N)=S.
What is the InChIKey of 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanethioamide?
The InChIKey is YOSVPYOSTKTLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S2/c1-7(2,6(12)16)13-17(14,15)5-3-4-8(9,10)11/h13H,3-5H2,1-2H3,(H2,12,16).
What are the key properties of 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanethioamide?
2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanethioamide has a molecular weight of 292.35 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanethioamide is sourced from PubChem (CID 83058219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).