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

C10H18F3NS — CID 116627826

IUPAC[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine
SMILESCC1CCC(CN)(CCSC(F)(F)F)C1
InChIInChI=1S/C10H18F3NS/c1-8-2-3-9(6-8,7-14)4-5-15-10(11,12)13/h8H,2-7,14H2,1H3
InChIKeyNTPAULVSLXGXSK-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.39
Rot. Bonds4

About [3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine

[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine (PubChem CID 116627826) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is [3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine
PubChem CID116627826
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine
SMILESCC1CCC(CN)(CCSC(F)(F)F)C1
InChIInChI=1S/C10H18F3NS/c1-8-2-3-9(6-8,7-14)4-5-15-10(11,12)13/h8H,2-7,14H2,1H3
InChIKeyNTPAULVSLXGXSK-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[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
2-Ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
CID 116617693
N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine
CID 116617723
[3-[2-(Trifluoromethylsulfanyl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine
CID 116617903
2-Cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617932
3-Methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 116627272
[3-Methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116627818
[4-Methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116627819
[4-Ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116627821

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine?
The IUPAC name of [3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine (CID 116627826) is [3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine.
What is the SMILES notation for [3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine?
The canonical SMILES for [3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine is CC1CCC(CN)(CCSC(F)(F)F)C1.
What is the InChIKey of [3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine?
The InChIKey is NTPAULVSLXGXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c1-8-2-3-9(6-8,7-14)4-5-15-10(11,12)13/h8H,2-7,14H2,1H3.
What are the key properties of [3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine?
[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine has a molecular weight of 241.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine is sourced from PubChem (CID 116627826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).