N-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine

C8H16F3NS — CID 115710768

IUPACN-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine
SMILESCCC(CC)NCCSC(F)(F)F
InChIInChI=1S/C8H16F3NS/c1-3-7(4-2)12-5-6-13-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyYOFHXVXUEPNWRL-UHFFFAOYSA-N
MW215.28 g/mol
LogP3.02
Rot. Bonds6

About N-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine

N-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine (PubChem CID 115710768) has the molecular formula C8H16F3NS and a molecular weight of 215.28 g/mol. Its IUPAC name is N-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine
PubChem CID115710768
Molecular FormulaC8H16F3NS
Molecular Weight215.28 g/mol
Exact Mass215.10
IUPAC NameN-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine
SMILESCCC(CC)NCCSC(F)(F)F
InChIInChI=1S/C8H16F3NS/c1-3-7(4-2)12-5-6-13-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyYOFHXVXUEPNWRL-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(trifluoromethylsulfanyl)ethylamino]pentan-1-ol
CID 116615811
N-(2-tert-butylsulfanylethyl)pentan-3-amine
CID 62576921
1-chloro-3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
CID 106180697
4-[1-[2-(trifluoromethylsulfanyl)ethylamino]propyl]phenol
CID 106427128
1-bromo-3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine
CID 107859179
3-methyl-2-[2-(trifluoromethylsulfanyl)ethylamino]butan-1-ol
CID 116615651
2-[2-(trifluoromethylsulfanyl)ethylamino]pentanoic acid
CID 116616739
N-(dicyclopropylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 115710731
methyl 2-[2-(trifluoromethylsulfanyl)ethylamino]propanoate
CID 116615466
(1R)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891285
(1S)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891284
1-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
CID 103778096

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine?
The IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine (CID 115710768) is N-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine.
What is the SMILES notation for N-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine?
The canonical SMILES for N-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine is CCC(CC)NCCSC(F)(F)F.
What is the InChIKey of N-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine?
The InChIKey is YOFHXVXUEPNWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NS/c1-3-7(4-2)12-5-6-13-8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of N-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine?
N-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine has a molecular weight of 215.28 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine is sourced from PubChem (CID 115710768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).