N-methyl-1-[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine

C11H18F3NS — CID 116617904

IUPACN-methyl-1-[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine
SMILESCNCC1(CCSC(F)(F)F)CC2CC2C1
InChIInChI=1S/C11H18F3NS/c1-15-7-10(2-3-16-11(12,13)14)5-8-4-9(8)6-10/h8-9,15H,2-7H2,1H3
InChIKeyJRMLMAVINSHQLT-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.27
Rot. Bonds5

About N-methyl-1-[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine

N-methyl-1-[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine (PubChem CID 116617904) has the molecular formula C11H18F3NS and a molecular weight of 253.33 g/mol. Its IUPAC name is N-methyl-1-[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine
PubChem CID116617904
Molecular FormulaC11H18F3NS
Molecular Weight253.33 g/mol
Exact Mass253.11
IUPAC NameN-methyl-1-[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine
SMILESCNCC1(CCSC(F)(F)F)CC2CC2C1
InChIInChI=1S/C11H18F3NS/c1-15-7-10(2-3-16-11(12,13)14)5-8-4-9(8)6-10/h8-9,15H,2-7H2,1H3
InChIKeyJRMLMAVINSHQLT-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.27
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
N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine
CID 113544190
N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 116615667
N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine
CID 116617707
1-[4-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]-N-methylmethanamine
CID 116617714
N-[[4-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]ethanamine
CID 116617715
N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116617717
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]ethanamine
CID 116617718
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]cyclopropanamine
CID 116617719
2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 116617721
N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine
CID 116617723
1-[4-tert-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]-N-methylmethanamine
CID 116617734

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine?
The IUPAC name of N-methyl-1-[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine (CID 116617904) is N-methyl-1-[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine?
The canonical SMILES for N-methyl-1-[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine is CNCC1(CCSC(F)(F)F)CC2CC2C1.
What is the InChIKey of N-methyl-1-[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine?
The InChIKey is JRMLMAVINSHQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NS/c1-15-7-10(2-3-16-11(12,13)14)5-8-4-9(8)6-10/h8-9,15H,2-7H2,1H3.
What are the key properties of N-methyl-1-[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine?
N-methyl-1-[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine has a molecular weight of 253.33 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine is sourced from PubChem (CID 116617904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).