2-amino-3,3,3-trifluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide

C10H17F3N2OS — CID 80736779

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide
SMILESCC1(CNC(=O)C(C)(N)C(F)(F)F)CCCS1
InChIInChI=1S/C10H17F3N2OS/c1-8(4-3-5-17-8)6-15-7(16)9(2,14)10(11,12)13/h3-6,14H2,1-2H3,(H,15,16)
InChIKeyLYYVPSUUCLEXOD-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.67
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide (PubChem CID 80736779) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide
PubChem CID80736779
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide
SMILESCC1(CNC(=O)C(C)(N)C(F)(F)F)CCCS1
InChIInChI=1S/C10H17F3N2OS/c1-8(4-3-5-17-8)6-15-7(16)9(2,14)10(11,12)13/h3-6,14H2,1-2H3,(H,15,16)
InChIKeyLYYVPSUUCLEXOD-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-3,3,3-trifluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide 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-amino-3,3,3-trifluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide (CID 80736779) is 2-amino-3,3,3-trifluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide is CC1(CNC(=O)C(C)(N)C(F)(F)F)CCCS1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide?
The InChIKey is LYYVPSUUCLEXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c1-8(4-3-5-17-8)6-15-7(16)9(2,14)10(11,12)13/h3-6,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide has a molecular weight of 270.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]propanamide is sourced from PubChem (CID 80736779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).