N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine

C11H20F3NS — CID 116628166

IUPACN-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
SMILESCNCC1CCCCC1CCSC(F)(F)F
InChIInChI=1S/C11H20F3NS/c1-15-8-10-5-3-2-4-9(10)6-7-16-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyRSWDTCMZEGHDKB-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.66
Rot. Bonds5

About N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine

N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine (PubChem CID 116628166) has the molecular formula C11H20F3NS and a molecular weight of 255.35 g/mol. Its IUPAC name is N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
PubChem CID116628166
Molecular FormulaC11H20F3NS
Molecular Weight255.35 g/mol
Exact Mass255.13
IUPAC NameN-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
SMILESCNCC1CCCCC1CCSC(F)(F)F
InChIInChI=1S/C11H20F3NS/c1-15-8-10-5-3-2-4-9(10)6-7-16-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyRSWDTCMZEGHDKB-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine (CID 116628166) is N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine is CNCC1CCCCC1CCSC(F)(F)F.
What is the InChIKey of N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
The InChIKey is RSWDTCMZEGHDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NS/c1-15-8-10-5-3-2-4-9(10)6-7-16-11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine has a molecular weight of 255.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 116628166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).