4-amino-6-(trifluoromethylsulfanyl)piperidine-3-thiol

C6H11F3N2S2 — CID 176942628

IUPAC4-amino-6-(trifluoromethylsulfanyl)piperidine-3-thiol
SMILESNC1CC(SC(F)(F)F)NCC1S
InChIInChI=1S/C6H11F3N2S2/c7-6(8,9)13-5-1-3(10)4(12)2-11-5/h3-5,11-12H,1-2,10H2
InChIKeyIJGDAKSAKGIVMO-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.18
Rot. Bonds1

About 4-amino-6-(trifluoromethylsulfanyl)piperidine-3-thiol

4-amino-6-(trifluoromethylsulfanyl)piperidine-3-thiol (PubChem CID 176942628) has the molecular formula C6H11F3N2S2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 4-amino-6-(trifluoromethylsulfanyl)piperidine-3-thiol.

Molecular Properties

Compound Name4-amino-6-(trifluoromethylsulfanyl)piperidine-3-thiol
PubChem CID176942628
Molecular FormulaC6H11F3N2S2
Molecular Weight232.30 g/mol
Exact Mass232.03
IUPAC Name4-amino-6-(trifluoromethylsulfanyl)piperidine-3-thiol
SMILESNC1CC(SC(F)(F)F)NCC1S
InChIInChI=1S/C6H11F3N2S2/c7-6(8,9)13-5-1-3(10)4(12)2-11-5/h3-5,11-12H,1-2,10H2
InChIKeyIJGDAKSAKGIVMO-UHFFFAOYSA-N
XLogP1.18
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[(Trifluoromethyl)sulfanyl]piperidine
CID 75530531
(4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine
CID 166682652
5-Phosphanyl-2-(trifluoromethylsulfanyl)piperidin-4-amine
CID 176942837
N-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63983391
2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine
CID 66422525
2-Trifluoromethylsulfanylmethylpiperidine
CID 75406394
2-(Trifluoromethylsulfanylmethyl)piperidine hydrochloride
CID 75530525
3-(Trifluoromethylthio)piperidine
CID 75530529
3-(Difluoromethylsulfanyl)piperidine
CID 84755047
N-(5-methylsulfanylpentyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 104926351
4-(Difluoromethylsulfanyl)piperidine
CID 105433518
5,5-Difluoro-2-(methylsulfanylmethyl)piperidine
CID 105439598

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(trifluoromethylsulfanyl)piperidine-3-thiol?
The IUPAC name of 4-amino-6-(trifluoromethylsulfanyl)piperidine-3-thiol (CID 176942628) is 4-amino-6-(trifluoromethylsulfanyl)piperidine-3-thiol.
What is the SMILES notation for 4-amino-6-(trifluoromethylsulfanyl)piperidine-3-thiol?
The canonical SMILES for 4-amino-6-(trifluoromethylsulfanyl)piperidine-3-thiol is NC1CC(SC(F)(F)F)NCC1S.
What is the InChIKey of 4-amino-6-(trifluoromethylsulfanyl)piperidine-3-thiol?
The InChIKey is IJGDAKSAKGIVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2S2/c7-6(8,9)13-5-1-3(10)4(12)2-11-5/h3-5,11-12H,1-2,10H2.
What are the key properties of 4-amino-6-(trifluoromethylsulfanyl)piperidine-3-thiol?
4-amino-6-(trifluoromethylsulfanyl)piperidine-3-thiol has a molecular weight of 232.30 g/mol, XLogP of 1.18, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(trifluoromethylsulfanyl)piperidine-3-thiol is sourced from PubChem (CID 176942628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).