1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine

C12H22F3NO2S — CID 65098316

IUPAC1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCS(=O)(=O)CCCC1(N)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H22F3NO2S/c1-2-19(17,18)8-4-7-11(16)6-3-5-10(9-11)12(13,14)15/h10H,2-9,16H2,1H3
InChIKeyFJRBILDYSUTPJH-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.65
Rot. Bonds5

About 1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine

1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 65098316) has the molecular formula C12H22F3NO2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID65098316
Molecular FormulaC12H22F3NO2S
Molecular Weight301.37 g/mol
Exact Mass301.13
IUPAC Name1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCS(=O)(=O)CCCC1(N)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H22F3NO2S/c1-2-19(17,18)8-4-7-11(16)6-3-5-10(9-11)12(13,14)15/h10H,2-9,16H2,1H3
InChIKeyFJRBILDYSUTPJH-UHFFFAOYSA-N
XLogP2.65
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-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-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 65098316) is 1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine is CCS(=O)(=O)CCCC1(N)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is FJRBILDYSUTPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2S/c1-2-19(17,18)8-4-7-11(16)6-3-5-10(9-11)12(13,14)15/h10H,2-9,16H2,1H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 301.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 65098316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).