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

C9H17F3N2OS — CID 103809192

IUPAC2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCCSC(F)(F)F
InChIInChI=1S/C9H17F3N2OS/c1-3-4-8(2,13)7(15)14-5-6-16-9(10,11)12/h3-6,13H2,1-2H3,(H,14,15)
InChIKeyUSFJJFJQZUIPAN-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.87
Rot. Bonds6

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

2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide (PubChem CID 103809192) has the molecular formula C9H17F3N2OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide
PubChem CID103809192
Molecular FormulaC9H17F3N2OS
Molecular Weight258.31 g/mol
Exact Mass258.10
IUPAC Name2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCCSC(F)(F)F
InChIInChI=1S/C9H17F3N2OS/c1-3-4-8(2,13)7(15)14-5-6-16-9(10,11)12/h3-6,13H2,1-2H3,(H,14,15)
InChIKeyUSFJJFJQZUIPAN-UHFFFAOYSA-N
XLogP1.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.87
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?
The IUPAC name of 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide (CID 103809192) is 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide is CCCC(C)(N)C(=O)NCCSC(F)(F)F.
What is the InChIKey of 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide?
The InChIKey is USFJJFJQZUIPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2OS/c1-3-4-8(2,13)7(15)14-5-6-16-9(10,11)12/h3-6,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide?
2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pentanamide has a molecular weight of 258.31 g/mol, XLogP of 1.87, 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 is sourced from PubChem (CID 103809192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).