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

C8H14F3NS — CID 116627202

IUPAC3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
SMILESNC1CCC(CCSC(F)(F)F)C1
InChIInChI=1S/C8H14F3NS/c9-8(10,11)13-4-3-6-1-2-7(12)5-6/h6-7H,1-5,12H2
InChIKeyIYYBVXKOCDEETK-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.76
Rot. Bonds3

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

3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine (PubChem CID 116627202) has the molecular formula C8H14F3NS and a molecular weight of 213.27 g/mol. Its IUPAC name is 3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
PubChem CID116627202
Molecular FormulaC8H14F3NS
Molecular Weight213.27 g/mol
Exact Mass213.08
IUPAC Name3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
SMILESNC1CCC(CCSC(F)(F)F)C1
InChIInChI=1S/C8H14F3NS/c9-8(10,11)13-4-3-6-1-2-7(12)5-6/h6-7H,1-5,12H2
InChIKeyIYYBVXKOCDEETK-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-6-(2,2,2-trifluoroethyl)thian-3-amine
CID 91346030
7-(Aminomethylsulfanyl)-3-(trifluoromethyl)heptan-2-amine
CID 129095905
1-(3,5-Dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine
CID 163576724
2-(Cyclopentylmethylsulfanyl)-1,1,1-trifluoropentan-3-amine
CID 63119275
3-(Cyclopentylmethylsulfanyl)-4,4,4-trifluorobutan-2-amine
CID 63119283
3-(Cyclopentylmethylsulfanyl)-4,4,4-trifluorobutan-1-amine
CID 63119757
4,4,4-Trifluoro-1-(thiolan-3-yl)butan-1-amine
CID 105156443
5,5,5-Trifluoro-1-(thiolan-3-yl)pentan-1-amine
CID 105174427
1,1-Difluoro-1-(thiolan-3-yl)propan-2-amine
CID 105439599
1,1-Difluoro-1-(thian-3-yl)propan-2-amine
CID 105449344
1-(3,3-Difluorocyclopentyl)-3-(thian-4-yl)propan-2-amine
CID 114225720
4-(2,2-Difluoropropyl)thiolan-3-amine
CID 115015966

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine (CID 116627202) is 3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine is NC1CCC(CCSC(F)(F)F)C1.
What is the InChIKey of 3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
The InChIKey is IYYBVXKOCDEETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS/c9-8(10,11)13-4-3-6-1-2-7(12)5-6/h6-7H,1-5,12H2.
What are the key properties of 3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine?
3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 116627202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).