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

C10H18F3NS — CID 116617723

IUPACN-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine
SMILESCNCC1(CCSC(F)(F)F)CCCC1
InChIInChI=1S/C10H18F3NS/c1-14-8-9(4-2-3-5-9)6-7-15-10(11,12)13/h14H,2-8H2,1H3
InChIKeyQDQAMRXZUMZTIZ-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.41
Rot. Bonds5

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

N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine (PubChem CID 116617723) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine
PubChem CID116617723
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC NameN-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine
SMILESCNCC1(CCSC(F)(F)F)CCCC1
InChIInChI=1S/C10H18F3NS/c1-14-8-9(4-2-3-5-9)6-7-15-10(11,12)13/h14H,2-8H2,1H3
InChIKeyQDQAMRXZUMZTIZ-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 104531021
2,2,2-trifluoro-N-[(1-methylsulfanylcyclopentyl)methyl]ethanamine
CID 105819857
2,2-difluoro-N-[(1-methylsulfanylcyclopentyl)methyl]ethanamine
CID 105819872
4,4,4-trifluoro-N-[(1-methylsulfanylcyclopentyl)methyl]butan-1-amine
CID 105820002
3,3,3-trifluoro-N-[(1-methylsulfanylcyclopentyl)methyl]propan-1-amine
CID 105820006
N-[(1-methylsulfanylcyclopentyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 105820445
N-[(1-ethylcyclopentyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 105891682
1-cyclopentyl-N-ethyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 113544027
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 113544162
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-1-amine
CID 113544164
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-2-amine
CID 113544165
2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-1-amine
CID 113544166

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine (CID 116617723) is N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine is CNCC1(CCSC(F)(F)F)CCCC1.
What is the InChIKey of N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine?
The InChIKey is QDQAMRXZUMZTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c1-14-8-9(4-2-3-5-9)6-7-15-10(11,12)13/h14H,2-8H2,1H3.
What are the key properties of N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine?
N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine has a molecular weight of 241.32 g/mol, XLogP of 3.41, 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]cyclopentyl]methanamine is sourced from PubChem (CID 116617723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).