3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine

C10H18F3NS — CID 104531021

IUPAC3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
SMILESCC1(C)CCC(NCCSC(F)(F)F)C1
InChIInChI=1S/C10H18F3NS/c1-9(2)4-3-8(7-9)14-5-6-15-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyGNJFKKCXFKGUCA-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.41
Rot. Bonds4

About 3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine

3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine (PubChem CID 104531021) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
PubChem CID104531021
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
SMILESCC1(C)CCC(NCCSC(F)(F)F)C1
InChIInChI=1S/C10H18F3NS/c1-9(2)4-3-8(7-9)14-5-6-15-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyGNJFKKCXFKGUCA-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylsulfanylethyl)cyclopentan-1-amine
CID 156058190
3,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 80692833
3,3-dimethyl-N-(3,3,3-trifluoropropyl)cyclopentan-1-amine
CID 80705317
N-(1,1-difluoropropan-2-yl)-3,3-dimethylcyclopentan-1-amine
CID 102870154
3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 103698656
2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 103778164
3,3-dimethyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine
CID 103907151
(1S)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891284
(1R)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891285
N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 105695397
N-[(1-ethylcyclobutyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 105754056
1,1-difluoro-N-[(1-methylsulfanylcyclopentyl)methyl]propan-2-amine
CID 105814467

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine (CID 104531021) is 3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine is CC1(C)CCC(NCCSC(F)(F)F)C1.
What is the InChIKey of 3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
The InChIKey is GNJFKKCXFKGUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c1-9(2)4-3-8(7-9)14-5-6-15-10(11,12)13/h8,14H,3-7H2,1-2H3.
What are the key properties of 3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 104531021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).