N-(3-methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine

C11H20F3NO2S — CID 64754878

IUPACN-(3-methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCS(=O)(=O)CCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2S/c1-18(16,17)8-2-7-15-10-5-3-9(4-6-10)11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyTZYOGYXMOXLLNI-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.13
Rot. Bonds5

About N-(3-methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(3-methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64754878) has the molecular formula C11H20F3NO2S and a molecular weight of 287.35 g/mol. Its IUPAC name is N-(3-methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64754878
Molecular FormulaC11H20F3NO2S
Molecular Weight287.35 g/mol
Exact Mass287.12
IUPAC NameN-(3-methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCS(=O)(=O)CCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2S/c1-18(16,17)8-2-7-15-10-5-3-9(4-6-10)11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyTZYOGYXMOXLLNI-UHFFFAOYSA-N
XLogP2.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-methylsulfonylpropyl)-4-(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 N-(3-methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(3-methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64754878) is N-(3-methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(3-methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(3-methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine is CS(=O)(=O)CCCNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(3-methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is TZYOGYXMOXLLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2S/c1-18(16,17)8-2-7-15-10-5-3-9(4-6-10)11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of N-(3-methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(3-methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 287.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64754878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).