3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine

C9H16F3NS — CID 116627272

IUPAC3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
SMILESCC1(CCSC(F)(F)F)CCC(N)C1
InChIInChI=1S/C9H16F3NS/c1-8(3-2-7(13)6-8)4-5-14-9(10,11)12/h7H,2-6,13H2,1H3
InChIKeyGALLYNIUVRNRDC-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.15
Rot. Bonds3

About 3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine

3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine (PubChem CID 116627272) has the molecular formula C9H16F3NS and a molecular weight of 227.29 g/mol. Its IUPAC name is 3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
PubChem CID116627272
Molecular FormulaC9H16F3NS
Molecular Weight227.29 g/mol
Exact Mass227.10
IUPAC Name3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
SMILESCC1(CCSC(F)(F)F)CCC(N)C1
InChIInChI=1S/C9H16F3NS/c1-8(3-2-7(13)6-8)4-5-14-9(10,11)12/h7H,2-6,13H2,1H3
InChIKeyGALLYNIUVRNRDC-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.15
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
4,4,4-Trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine
CID 105156346
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-2-amine
CID 113544165
2,2-Dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine
CID 116616625
2-[2-(Trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 116616654
1-Cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116616716
[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
2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentyl]methyl]propan-2-amine
CID 116617726
3-[2-(Trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 116627202
2,2-Dimethyl-7-(trifluoromethylsulfanyl)heptan-3-amine
CID 116627209

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine (CID 116627272) is 3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine is CC1(CCSC(F)(F)F)CCC(N)C1.
What is the InChIKey of 3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
The InChIKey is GALLYNIUVRNRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NS/c1-8(3-2-7(13)6-8)4-5-14-9(10,11)12/h7H,2-6,13H2,1H3.
What are the key properties of 3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine has a molecular weight of 227.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 116627272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).