(2S)-2-amino-N-methyl-6-(trifluoromethylsulfonylamino)hexanamide

C8H16F3N3O3S — CID 54410395

IUPAC(2S)-2-amino-N-methyl-6-(trifluoromethylsulfonylamino)hexanamide
SMILESCNC(=O)[C@@H](N)CCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H16F3N3O3S/c1-13-7(15)6(12)4-2-3-5-14-18(16,17)8(9,10)11/h6,14H,2-5,12H2,1H3,(H,13,15)/t6-/m0/s1
InChIKeyVTSHTTRLLXVBOW-LURJTMIESA-N
MW291.30 g/mol
LogP-0.33
Rot. Bonds7

About (2S)-2-amino-N-methyl-6-(trifluoromethylsulfonylamino)hexanamide

(2S)-2-amino-N-methyl-6-(trifluoromethylsulfonylamino)hexanamide (PubChem CID 54410395) has the molecular formula C8H16F3N3O3S and a molecular weight of 291.30 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-6-(trifluoromethylsulfonylamino)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-6-(trifluoromethylsulfonylamino)hexanamide
PubChem CID54410395
Molecular FormulaC8H16F3N3O3S
Molecular Weight291.30 g/mol
Exact Mass291.09
IUPAC Name(2S)-2-amino-N-methyl-6-(trifluoromethylsulfonylamino)hexanamide
SMILESCNC(=O)[C@@H](N)CCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H16F3N3O3S/c1-13-7(15)6(12)4-2-3-5-14-18(16,17)8(9,10)11/h6,14H,2-5,12H2,1H3,(H,13,15)/t6-/m0/s1
InChIKeyVTSHTTRLLXVBOW-LURJTMIESA-N
XLogP-0.33
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-methyl-6-(trifluoromethylsulfonylamino)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-6-(trifluoromethylsulfonylamino)hexanamide?
The IUPAC name of (2S)-2-amino-N-methyl-6-(trifluoromethylsulfonylamino)hexanamide (CID 54410395) is (2S)-2-amino-N-methyl-6-(trifluoromethylsulfonylamino)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-6-(trifluoromethylsulfonylamino)hexanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-6-(trifluoromethylsulfonylamino)hexanamide is CNC(=O)[C@@H](N)CCCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of (2S)-2-amino-N-methyl-6-(trifluoromethylsulfonylamino)hexanamide?
The InChIKey is VTSHTTRLLXVBOW-LURJTMIESA-N. The full InChI is InChI=1S/C8H16F3N3O3S/c1-13-7(15)6(12)4-2-3-5-14-18(16,17)8(9,10)11/h6,14H,2-5,12H2,1H3,(H,13,15)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-6-(trifluoromethylsulfonylamino)hexanamide?
(2S)-2-amino-N-methyl-6-(trifluoromethylsulfonylamino)hexanamide has a molecular weight of 291.30 g/mol, XLogP of -0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-6-(trifluoromethylsulfonylamino)hexanamide is sourced from PubChem (CID 54410395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).