2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide;hydrochloride

C9H18ClF3N2OS — CID 119727739

IUPAC2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCCSC(F)(F)F.Cl
InChIInChI=1S/C9H17F3N2OS.ClH/c1-3-4-8(2,13)7(15)14-5-6-16-9(10,11)12;/h3-6,13H2,1-2H3,(H,14,15);1H
InChIKeyFGQOVVQXPXZBGW-UHFFFAOYSA-N
MW294.77 g/mol
LogP2.29
Rot. Bonds6

About 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide;hydrochloride

2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide;hydrochloride (PubChem CID 119727739) has the molecular formula C9H18ClF3N2OS and a molecular weight of 294.77 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide;hydrochloride
PubChem CID119727739
Molecular FormulaC9H18ClF3N2OS
Molecular Weight294.77 g/mol
Exact Mass294.08
IUPAC Name2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCCSC(F)(F)F.Cl
InChIInChI=1S/C9H17F3N2OS.ClH/c1-3-4-8(2,13)7(15)14-5-6-16-9(10,11)12;/h3-6,13H2,1-2H3,(H,14,15);1H
InChIKeyFGQOVVQXPXZBGW-UHFFFAOYSA-N
XLogP2.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.77
LogP ≤ 52.29
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-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide;hydrochloride (CID 119727739) is 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide;hydrochloride is CCCC(C)(N)C(=O)NCCSC(F)(F)F.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide;hydrochloride?
The InChIKey is FGQOVVQXPXZBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2OS.ClH/c1-3-4-8(2,13)7(15)14-5-6-16-9(10,11)12;/h3-6,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide;hydrochloride?
2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide;hydrochloride has a molecular weight of 294.77 g/mol, XLogP of 2.29, 6 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]pentanamide;hydrochloride is sourced from PubChem (CID 119727739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).