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

C8H15F3N2O3S — CID 79805251

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylsulfonylpropyl)propanamide
SMILESCC(N)(C(=O)NCCCS(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O3S/c1-7(12,8(9,10)11)6(14)13-4-3-5-17(2,15)16/h3-5,12H2,1-2H3,(H,13,14)
InChIKeyBSNCGUVPJJABFV-UHFFFAOYSA-N
MW276.28 g/mol
LogP-0.18
Rot. Bonds5

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

2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylsulfonylpropyl)propanamide (PubChem CID 79805251) has the molecular formula C8H15F3N2O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylsulfonylpropyl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylsulfonylpropyl)propanamide
PubChem CID79805251
Molecular FormulaC8H15F3N2O3S
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylsulfonylpropyl)propanamide
SMILESCC(N)(C(=O)NCCCS(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O3S/c1-7(12,8(9,10)11)6(14)13-4-3-5-17(2,15)16/h3-5,12H2,1-2H3,(H,13,14)
InChIKeyBSNCGUVPJJABFV-UHFFFAOYSA-N
XLogP-0.18
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-methylsulfonylpropyl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylsulfonylpropyl)propanamide (CID 79805251) is 2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylsulfonylpropyl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylsulfonylpropyl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylsulfonylpropyl)propanamide is CC(N)(C(=O)NCCCS(C)(=O)=O)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylsulfonylpropyl)propanamide?
The InChIKey is BSNCGUVPJJABFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3S/c1-7(12,8(9,10)11)6(14)13-4-3-5-17(2,15)16/h3-5,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylsulfonylpropyl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylsulfonylpropyl)propanamide has a molecular weight of 276.28 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylsulfonylpropyl)propanamide is sourced from PubChem (CID 79805251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).