2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine

C10H18F3NS — CID 116617932

IUPAC2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine
SMILESNCC(CCSC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H18F3NS/c11-10(12,13)15-6-5-9(7-14)8-3-1-2-4-8/h8-9H,1-7,14H2
InChIKeyJTLLRHFTNYZRJP-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.39
Rot. Bonds5

About 2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine

2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine (PubChem CID 116617932) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine
PubChem CID116617932
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine
SMILESNCC(CCSC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H18F3NS/c11-10(12,13)15-6-5-9(7-14)8-3-1-2-4-8/h8-9H,1-7,14H2
InChIKeyJTLLRHFTNYZRJP-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(4S)-3,4-dimethyl-5-(2,2,2-trifluoroethyl)thiolan-2-yl]methanamine
CID 173844600
2-(Cyclopentylmethylsulfanyl)-3,3,3-trifluoropropan-1-amine
CID 63119330
3-(Cyclopentylmethylsulfanyl)-4,4,4-trifluorobutan-1-amine
CID 63119757
2-(Cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine
CID 103371683
5,5,5-Trifluoro-1-(thiolan-3-yl)pentan-1-amine
CID 105174427
2-cyclopentyl-N-ethyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 113544197
1-(3,3-Difluorocyclopentyl)-3-(thian-4-yl)propan-2-amine
CID 114225720
4,4-Difluoro-3-(thiolan-3-yl)butan-1-amine
CID 115020351
4,4-Difluoro-3-(thian-3-yl)butan-1-amine
CID 115026572
2-[2-(Trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 116616654
2-[2-(Trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine
CID 116616671
1-Cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116616716

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine?
The IUPAC name of 2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine (CID 116617932) is 2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine.
What is the SMILES notation for 2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine?
The canonical SMILES for 2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine is NCC(CCSC(F)(F)F)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine?
The InChIKey is JTLLRHFTNYZRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c11-10(12,13)15-6-5-9(7-14)8-3-1-2-4-8/h8-9H,1-7,14H2.
What are the key properties of 2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine?
2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-amine is sourced from PubChem (CID 116617932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).