2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide

C7H13F3N2OS — CID 103630060

IUPAC2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
SMILESCC(C)(N)C(=O)NCCSC(F)(F)F
InChIInChI=1S/C7H13F3N2OS/c1-6(2,11)5(13)12-3-4-14-7(8,9)10/h3-4,11H2,1-2H3,(H,12,13)
InChIKeyQVPPMTNCJGJQRH-UHFFFAOYSA-N
MW230.25 g/mol
LogP1.09
Rot. Bonds4

About 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide

2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide (PubChem CID 103630060) has the molecular formula C7H13F3N2OS and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
PubChem CID103630060
Molecular FormulaC7H13F3N2OS
Molecular Weight230.25 g/mol
Exact Mass230.07
IUPAC Name2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
SMILESCC(C)(N)C(=O)NCCSC(F)(F)F
InChIInChI=1S/C7H13F3N2OS/c1-6(2,11)5(13)12-3-4-14-7(8,9)10/h3-4,11H2,1-2H3,(H,12,13)
InChIKeyQVPPMTNCJGJQRH-UHFFFAOYSA-N
XLogP1.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide 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

2-amino-N-ethyl-3,3,3-trifluoro-2-methylpropanamide
CID 79789707
Propanamide, 2-amino-2-methyl-N-(2,2,2-trifluoroethyl)-
CID 61264399
2-amino-2-methyl-N-(3,3,3-trifluoropropyl)propanamide
CID 63226651
2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
CID 76892736
(2R)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
CID 104906864
(2R)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 130236586
2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 130236588
[2-Methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium
CID 140645041
2-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 146414813
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-sulfanylpropanamide
CID 156532680
N-tert-butyl-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]propanamide
CID 60587391
2-(2-methylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646871

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide (CID 103630060) is 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide is CC(C)(N)C(=O)NCCSC(F)(F)F.
What is the InChIKey of 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
The InChIKey is QVPPMTNCJGJQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2OS/c1-6(2,11)5(13)12-3-4-14-7(8,9)10/h3-4,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide has a molecular weight of 230.25 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide is sourced from PubChem (CID 103630060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).