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

C10H16F3NS — CID 116617903

IUPAC[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine
SMILESNCC1(CCSC(F)(F)F)CC2CC2C1
InChIInChI=1S/C10H16F3NS/c11-10(12,13)15-2-1-9(6-14)4-7-3-8(7)5-9/h7-8H,1-6,14H2
InChIKeyTUMIKESPGMPULV-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.00
Rot. Bonds4

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

[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine (PubChem CID 116617903) has the molecular formula C10H16F3NS and a molecular weight of 239.31 g/mol. Its IUPAC name is [3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine.

Molecular Properties

Compound Name[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine
PubChem CID116617903
Molecular FormulaC10H16F3NS
Molecular Weight239.31 g/mol
Exact Mass239.10
IUPAC Name[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine
SMILESNCC1(CCSC(F)(F)F)CC2CC2C1
InChIInChI=1S/C10H16F3NS/c11-10(12,13)15-2-1-9(6-14)4-7-3-8(7)5-9/h7-8H,1-6,14H2
InChIKeyTUMIKESPGMPULV-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine
CID 113544190
[4-Propyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 113545412
[2-[2-(Trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine
CID 116617687
[4-Butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116617688
[1-[2-(Trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116617689
[4-Tert-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116617692
N-methyl-1-[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine
CID 116617904
N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
CID 116617905
N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine
CID 116617906
2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine
CID 116617908
2-methyl-N-[[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine
CID 116617909
[3-Methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116627818

Frequently Asked Questions

What is the IUPAC name of [3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine?
The IUPAC name of [3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine (CID 116617903) is [3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine.
What is the SMILES notation for [3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine?
The canonical SMILES for [3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine is NCC1(CCSC(F)(F)F)CC2CC2C1.
What is the InChIKey of [3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine?
The InChIKey is TUMIKESPGMPULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NS/c11-10(12,13)15-2-1-9(6-14)4-7-3-8(7)5-9/h7-8H,1-6,14H2.
What are the key properties of [3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine?
[3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine has a molecular weight of 239.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine is sourced from PubChem (CID 116617903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).