N-[2-methyl-2-(methylsulfanylmethyl)butyl]-N-(2,2,2-trifluoroethyl)acetamide

C11H20F3NOS — CID 162564441

IUPACN-[2-methyl-2-(methylsulfanylmethyl)butyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(C)(CSC)CN(CC(F)(F)F)C(C)=O
InChIInChI=1S/C11H20F3NOS/c1-5-10(3,8-17-4)6-15(9(2)16)7-11(12,13)14/h5-8H2,1-4H3
InChIKeyURBVXFLSPVPFEU-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.18
Rot. Bonds6

About N-[2-methyl-2-(methylsulfanylmethyl)butyl]-N-(2,2,2-trifluoroethyl)acetamide

N-[2-methyl-2-(methylsulfanylmethyl)butyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 162564441) has the molecular formula C11H20F3NOS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[2-methyl-2-(methylsulfanylmethyl)butyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-[2-methyl-2-(methylsulfanylmethyl)butyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID162564441
Molecular FormulaC11H20F3NOS
Molecular Weight271.35 g/mol
Exact Mass271.12
IUPAC NameN-[2-methyl-2-(methylsulfanylmethyl)butyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(C)(CSC)CN(CC(F)(F)F)C(C)=O
InChIInChI=1S/C11H20F3NOS/c1-5-10(3,8-17-4)6-15(9(2)16)7-11(12,13)14/h5-8H2,1-4H3
InChIKeyURBVXFLSPVPFEU-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-methyl-2-(methylsulfanylmethyl)butyl]-N-(2,2,2-trifluoroethyl)acetamide 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-[2-methyl-2-(methylsulfanylmethyl)butyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-[2-methyl-2-(methylsulfanylmethyl)butyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 162564441) is N-[2-methyl-2-(methylsulfanylmethyl)butyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-[2-methyl-2-(methylsulfanylmethyl)butyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-[2-methyl-2-(methylsulfanylmethyl)butyl]-N-(2,2,2-trifluoroethyl)acetamide is CCC(C)(CSC)CN(CC(F)(F)F)C(C)=O.
What is the InChIKey of N-[2-methyl-2-(methylsulfanylmethyl)butyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is URBVXFLSPVPFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NOS/c1-5-10(3,8-17-4)6-15(9(2)16)7-11(12,13)14/h5-8H2,1-4H3.
What are the key properties of N-[2-methyl-2-(methylsulfanylmethyl)butyl]-N-(2,2,2-trifluoroethyl)acetamide?
N-[2-methyl-2-(methylsulfanylmethyl)butyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 271.35 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(methylsulfanylmethyl)butyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 162564441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).