N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine

C11H21F3N2S — CID 104891390

IUPACN-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
SMILESCC(C)NC1CCCN(CCSC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2S/c1-9(2)15-10-4-3-5-16(8-10)6-7-17-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyOOEPBPHCMOCXGN-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.70
Rot. Bonds5

About N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine

N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine (PubChem CID 104891390) has the molecular formula C11H21F3N2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
PubChem CID104891390
Molecular FormulaC11H21F3N2S
Molecular Weight270.36 g/mol
Exact Mass270.14
IUPAC NameN-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
SMILESCC(C)NC1CCCN(CCSC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2S/c1-9(2)15-10-4-3-5-16(8-10)6-7-17-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyOOEPBPHCMOCXGN-UHFFFAOYSA-N
XLogP2.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine?
The IUPAC name of N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine (CID 104891390) is N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine.
What is the SMILES notation for N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine?
The canonical SMILES for N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine is CC(C)NC1CCCN(CCSC(F)(F)F)C1.
What is the InChIKey of N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine?
The InChIKey is OOEPBPHCMOCXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2S/c1-9(2)15-10-4-3-5-16(8-10)6-7-17-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine?
N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine has a molecular weight of 270.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine is sourced from PubChem (CID 104891390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).