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

C11H20F3NO2S — CID 64757182

IUPAC1-(3-methylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCS(=O)(=O)CCCC1(N)CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO2S/c1-18(16,17)7-3-6-10(15)5-2-4-9(8-10)11(12,13)14/h9H,2-8,15H2,1H3
InChIKeyILJHOGMDQLFAFC-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.26
Rot. Bonds4

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

1-(3-methylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64757182) has the molecular formula C11H20F3NO2S and a molecular weight of 287.35 g/mol. Its IUPAC name is 1-(3-methylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-methylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64757182
Molecular FormulaC11H20F3NO2S
Molecular Weight287.35 g/mol
Exact Mass287.12
IUPAC Name1-(3-methylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCS(=O)(=O)CCCC1(N)CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO2S/c1-18(16,17)7-3-6-10(15)5-2-4-9(8-10)11(12,13)14/h9H,2-8,15H2,1H3
InChIKeyILJHOGMDQLFAFC-UHFFFAOYSA-N
XLogP2.26
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(3-methylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 64757182) is 1-(3-methylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3-methylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(3-methylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine is CS(=O)(=O)CCCC1(N)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(3-methylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is ILJHOGMDQLFAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2S/c1-18(16,17)7-3-6-10(15)5-2-4-9(8-10)11(12,13)14/h9H,2-8,15H2,1H3.
What are the key properties of 1-(3-methylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
1-(3-methylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 287.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64757182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).