N-(2-prop-2-enylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C12H21F3N2S — CID 103914417

IUPACN-(2-prop-2-enylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESC=CCSCCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2S/c1-2-8-18-9-5-16-11-3-6-17(7-4-11)10-12(13,14)15/h2,11,16H,1,3-10H2
InChIKeySUTQEVRSTINDEU-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.52
Rot. Bonds7

About N-(2-prop-2-enylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(2-prop-2-enylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 103914417) has the molecular formula C12H21F3N2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(2-prop-2-enylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-prop-2-enylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID103914417
Molecular FormulaC12H21F3N2S
Molecular Weight282.37 g/mol
Exact Mass282.14
IUPAC NameN-(2-prop-2-enylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESC=CCSCCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2S/c1-2-8-18-9-5-16-11-3-6-17(7-4-11)10-12(13,14)15/h2,11,16H,1,3-10H2
InChIKeySUTQEVRSTINDEU-UHFFFAOYSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-prop-2-enylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-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

N-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63980758
1-(2,2,2-trifluoroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
CID 103778077
1-(3-methylbut-2-enyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
CID 103778106
1-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
CID 103778138
1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
CID 103778149
6,6,6-trifluoro-N-(2-prop-2-enylsulfanylethyl)hexan-2-amine
CID 104925082
N-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
CID 106429782
N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
CID 106429783
N-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
CID 106429792
5,5,5-trifluoro-N-(2-thiomorpholin-3-ylethyl)pentan-1-amine
CID 113327730
1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
CID 115676476
1-(2,2-difluoroethyl)-N-(2-methylsulfanylethyl)piperidin-4-amine
CID 115706186

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-enylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(2-prop-2-enylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 103914417) is N-(2-prop-2-enylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(2-prop-2-enylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(2-prop-2-enylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is C=CCSCCNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(2-prop-2-enylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is SUTQEVRSTINDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2S/c1-2-8-18-9-5-16-11-3-6-17(7-4-11)10-12(13,14)15/h2,11,16H,1,3-10H2.
What are the key properties of N-(2-prop-2-enylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(2-prop-2-enylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 282.37 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 103914417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).