1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine

C11H20F3NO3S — CID 103215869

IUPAC1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCS(=O)(=O)C1CCCC(C(N)COCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO3S/c1-19(16,17)9-4-2-3-8(5-9)10(15)6-18-7-11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyYLVYQDIDBZPNHP-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.50
Rot. Bonds5

About 1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine

1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215869) has the molecular formula C11H20F3NO3S and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215869
Molecular FormulaC11H20F3NO3S
Molecular Weight303.35 g/mol
Exact Mass303.11
IUPAC Name1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCS(=O)(=O)C1CCCC(C(N)COCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO3S/c1-19(16,17)9-4-2-3-8(5-9)10(15)6-18-7-11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyYLVYQDIDBZPNHP-UHFFFAOYSA-N
XLogP1.50
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine 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-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215869) is 1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine is CS(=O)(=O)C1CCCC(C(N)COCC(F)(F)F)C1.
What is the InChIKey of 1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is YLVYQDIDBZPNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3S/c1-19(16,17)9-4-2-3-8(5-9)10(15)6-18-7-11(12,13)14/h8-10H,2-7,15H2,1H3.
What are the key properties of 1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 303.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).