1,1,1-trifluoro-N-methyl-6-methylsulfonylhexan-3-amine

C8H16F3NO2S — CID 63192585

IUPAC1,1,1-trifluoro-N-methyl-6-methylsulfonylhexan-3-amine
SMILESCNC(CCCS(C)(=O)=O)CC(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-12-7(6-8(9,10)11)4-3-5-15(2,13)14/h7,12H,3-6H2,1-2H3
InChIKeySYLMTKTZTNJCDD-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.35
Rot. Bonds6

About 1,1,1-trifluoro-N-methyl-6-methylsulfonylhexan-3-amine

1,1,1-trifluoro-N-methyl-6-methylsulfonylhexan-3-amine (PubChem CID 63192585) has the molecular formula C8H16F3NO2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-6-methylsulfonylhexan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-6-methylsulfonylhexan-3-amine
PubChem CID63192585
Molecular FormulaC8H16F3NO2S
Molecular Weight247.28 g/mol
Exact Mass247.09
IUPAC Name1,1,1-trifluoro-N-methyl-6-methylsulfonylhexan-3-amine
SMILESCNC(CCCS(C)(=O)=O)CC(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-12-7(6-8(9,10)11)4-3-5-15(2,13)14/h7,12H,3-6H2,1-2H3
InChIKeySYLMTKTZTNJCDD-UHFFFAOYSA-N
XLogP1.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-N-methyl-6-methylsulfonylhexan-3-amine 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 1,1,1-trifluoro-N-methyl-6-methylsulfonylhexan-3-amine?
The IUPAC name of 1,1,1-trifluoro-N-methyl-6-methylsulfonylhexan-3-amine (CID 63192585) is 1,1,1-trifluoro-N-methyl-6-methylsulfonylhexan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-6-methylsulfonylhexan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-6-methylsulfonylhexan-3-amine is CNC(CCCS(C)(=O)=O)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-6-methylsulfonylhexan-3-amine?
The InChIKey is SYLMTKTZTNJCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2S/c1-12-7(6-8(9,10)11)4-3-5-15(2,13)14/h7,12H,3-6H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-6-methylsulfonylhexan-3-amine?
1,1,1-trifluoro-N-methyl-6-methylsulfonylhexan-3-amine has a molecular weight of 247.28 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyl-6-methylsulfonylhexan-3-amine is sourced from PubChem (CID 63192585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).