N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine

C11H20F3NO2S — CID 64630557

IUPACN-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(CS(C)(=O)=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO2S/c1-8(7-18(2,16)17)15-10-5-3-4-9(6-10)11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyIYEBMUDPRDCVQB-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.13
Rot. Bonds4

About N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine

N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64630557) has the molecular formula C11H20F3NO2S and a molecular weight of 287.35 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64630557
Molecular FormulaC11H20F3NO2S
Molecular Weight287.35 g/mol
Exact Mass287.12
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(CS(C)(=O)=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO2S/c1-8(7-18(2,16)17)15-10-5-3-4-9(6-10)11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyIYEBMUDPRDCVQB-UHFFFAOYSA-N
XLogP2.13
TPSA46.17 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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 64630557) is N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine is CC(CS(C)(=O)=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is IYEBMUDPRDCVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2S/c1-8(7-18(2,16)17)15-10-5-3-4-9(6-10)11(12,13)14/h8-10,15H,3-7H2,1-2H3.
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 287.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64630557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).