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

C9H16F3NS — CID 116617784

IUPACN-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine
SMILESCNCC1(CCSC(F)(F)F)CCC1
InChIInChI=1S/C9H16F3NS/c1-13-7-8(3-2-4-8)5-6-14-9(10,11)12/h13H,2-7H2,1H3
InChIKeyHCRCPMHXIRENCB-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.02
Rot. Bonds5

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

N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine (PubChem CID 116617784) has the molecular formula C9H16F3NS and a molecular weight of 227.29 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine
PubChem CID116617784
Molecular FormulaC9H16F3NS
Molecular Weight227.29 g/mol
Exact Mass227.10
IUPAC NameN-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine
SMILESCNCC1(CCSC(F)(F)F)CCC1
InChIInChI=1S/C9H16F3NS/c1-13-7-8(3-2-4-8)5-6-14-9(10,11)12/h13H,2-7H2,1H3
InChIKeyHCRCPMHXIRENCB-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine (CID 116617784) is N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine is CNCC1(CCSC(F)(F)F)CCC1.
What is the InChIKey of N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine?
The InChIKey is HCRCPMHXIRENCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NS/c1-13-7-8(3-2-4-8)5-6-14-9(10,11)12/h13H,2-7H2,1H3.
What are the key properties of N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine?
N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine has a molecular weight of 227.29 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutyl]methanamine is sourced from PubChem (CID 116617784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).