5-phosphanyl-2-(trifluoromethylsulfanyl)piperidin-4-amine

C6H12F3N2PS — CID 176942837

IUPAC5-phosphanyl-2-(trifluoromethylsulfanyl)piperidin-4-amine
SMILESNC1CC(SC(F)(F)F)NCC1P
InChIInChI=1S/C6H12F3N2PS/c7-6(8,9)13-5-1-3(10)4(12)2-11-5/h3-5,11H,1-2,10,12H2
InChIKeyCRSYUVIUMKZVFD-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.13
Rot. Bonds1

About 5-phosphanyl-2-(trifluoromethylsulfanyl)piperidin-4-amine

5-phosphanyl-2-(trifluoromethylsulfanyl)piperidin-4-amine (PubChem CID 176942837) has the molecular formula C6H12F3N2PS and a molecular weight of 232.21 g/mol. Its IUPAC name is 5-phosphanyl-2-(trifluoromethylsulfanyl)piperidin-4-amine.

Molecular Properties

Compound Name5-phosphanyl-2-(trifluoromethylsulfanyl)piperidin-4-amine
PubChem CID176942837
Molecular FormulaC6H12F3N2PS
Molecular Weight232.21 g/mol
Exact Mass232.04
IUPAC Name5-phosphanyl-2-(trifluoromethylsulfanyl)piperidin-4-amine
SMILESNC1CC(SC(F)(F)F)NCC1P
InChIInChI=1S/C6H12F3N2PS/c7-6(8,9)13-5-1-3(10)4(12)2-11-5/h3-5,11H,1-2,10,12H2
InChIKeyCRSYUVIUMKZVFD-UHFFFAOYSA-N
XLogP1.13
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-6-(trifluoromethylsulfanyl)piperidine-3-thiol
CID 176942628
N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
CID 106427017

Frequently Asked Questions

What is the IUPAC name of 5-phosphanyl-2-(trifluoromethylsulfanyl)piperidin-4-amine?
The IUPAC name of 5-phosphanyl-2-(trifluoromethylsulfanyl)piperidin-4-amine (CID 176942837) is 5-phosphanyl-2-(trifluoromethylsulfanyl)piperidin-4-amine.
What is the SMILES notation for 5-phosphanyl-2-(trifluoromethylsulfanyl)piperidin-4-amine?
The canonical SMILES for 5-phosphanyl-2-(trifluoromethylsulfanyl)piperidin-4-amine is NC1CC(SC(F)(F)F)NCC1P.
What is the InChIKey of 5-phosphanyl-2-(trifluoromethylsulfanyl)piperidin-4-amine?
The InChIKey is CRSYUVIUMKZVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N2PS/c7-6(8,9)13-5-1-3(10)4(12)2-11-5/h3-5,11H,1-2,10,12H2.
What are the key properties of 5-phosphanyl-2-(trifluoromethylsulfanyl)piperidin-4-amine?
5-phosphanyl-2-(trifluoromethylsulfanyl)piperidin-4-amine has a molecular weight of 232.21 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phosphanyl-2-(trifluoromethylsulfanyl)piperidin-4-amine is sourced from PubChem (CID 176942837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).