2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylsulfanylethyl)propanamide

C7H13F3N2OS — CID 79811464

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylsulfanylethyl)propanamide
SMILESCSCCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C7H13F3N2OS/c1-6(11,7(8,9)10)5(13)12-3-4-14-2/h3-4,11H2,1-2H3,(H,12,13)
InChIKeyVITACXMNNPNMCT-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.75
Rot. Bonds4

About 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylsulfanylethyl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylsulfanylethyl)propanamide (PubChem CID 79811464) has the molecular formula C7H13F3N2OS and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylsulfanylethyl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylsulfanylethyl)propanamide
PubChem CID79811464
Molecular FormulaC7H13F3N2OS
Molecular Weight230.25 g/mol
Exact Mass230.07
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylsulfanylethyl)propanamide
SMILESCSCCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C7H13F3N2OS/c1-6(11,7(8,9)10)5(13)12-3-4-14-2/h3-4,11H2,1-2H3,(H,12,13)
InChIKeyVITACXMNNPNMCT-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylsulfanylethyl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylsulfanylethyl)propanamide (CID 79811464) is 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylsulfanylethyl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylsulfanylethyl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylsulfanylethyl)propanamide is CSCCNC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylsulfanylethyl)propanamide?
The InChIKey is VITACXMNNPNMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2OS/c1-6(11,7(8,9)10)5(13)12-3-4-14-2/h3-4,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylsulfanylethyl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylsulfanylethyl)propanamide has a molecular weight of 230.25 g/mol, XLogP of 0.75, 4 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-methylsulfanylethyl)propanamide is sourced from PubChem (CID 79811464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).