N-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-amine

C10H18F3NO2S — CID 64758402

IUPACN-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCS(=O)(=O)CCNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO2S/c1-17(15,16)6-5-14-9-4-2-3-8(7-9)10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyXSNKAHIFBXPKIB-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.74
Rot. Bonds4

About N-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-amine

N-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64758402) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64758402
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC NameN-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCS(=O)(=O)CCNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO2S/c1-17(15,16)6-5-14-9-4-2-3-8(7-9)10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyXSNKAHIFBXPKIB-UHFFFAOYSA-N
XLogP1.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 64758402) is N-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-amine is CS(=O)(=O)CCNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is XSNKAHIFBXPKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c1-17(15,16)6-5-14-9-4-2-3-8(7-9)10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of N-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
N-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 273.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64758402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).