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

C10H18F3NS — CID 116617689

IUPAC[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
SMILESNCC1(CCSC(F)(F)F)CCCCC1
InChIInChI=1S/C10H18F3NS/c11-10(12,13)15-7-6-9(8-14)4-2-1-3-5-9/h1-8,14H2
InChIKeyGNDIXIMCAWQSJO-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.54
Rot. Bonds4

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

[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine (PubChem CID 116617689) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is [1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
PubChem CID116617689
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
SMILESNCC1(CCSC(F)(F)F)CCCCC1
InChIInChI=1S/C10H18F3NS/c11-10(12,13)15-7-6-9(8-14)4-2-1-3-5-9/h1-8,14H2
InChIKeyGNDIXIMCAWQSJO-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 113544162
[4-Propyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 113545412
[4-Butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116617688
[1-[2-(Trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine
CID 116617690
2-Methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine
CID 116617691
[4-Tert-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116617692
2-Ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
CID 116617693
1-[4-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]-N-methylmethanamine
CID 116617714
N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116617717
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]ethanamine
CID 116617718
[3-[2-(Trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine
CID 116617903
[3-Methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116627818

Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
The IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine (CID 116617689) is [1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine is NCC1(CCSC(F)(F)F)CCCCC1.
What is the InChIKey of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
The InChIKey is GNDIXIMCAWQSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c11-10(12,13)15-7-6-9(8-14)4-2-1-3-5-9/h1-8,14H2.
What are the key properties of [1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine?
[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine has a molecular weight of 241.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 116617689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).