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

C10H19F3N2S — CID 106432542

IUPACN-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
SMILESCC(C)NC1CCN(CCSC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2S/c1-8(2)14-9-3-4-15(7-9)5-6-16-10(11,12)13/h8-9,14H,3-7H2,1-2H3
InChIKeyQDFPHBQRGATJOD-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.31
Rot. Bonds5

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

N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine (PubChem CID 106432542) has the molecular formula C10H19F3N2S and a molecular weight of 256.34 g/mol. Its IUPAC name is N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
PubChem CID106432542
Molecular FormulaC10H19F3N2S
Molecular Weight256.34 g/mol
Exact Mass256.12
IUPAC NameN-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
SMILESCC(C)NC1CCN(CCSC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2S/c1-8(2)14-9-3-4-15(7-9)5-6-16-10(11,12)13/h8-9,14H,3-7H2,1-2H3
InChIKeyQDFPHBQRGATJOD-UHFFFAOYSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.31
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]pyrrolidin-3-amine?
The IUPAC name of N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine (CID 106432542) is N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine is CC(C)NC1CCN(CCSC(F)(F)F)C1.
What is the InChIKey of N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine?
The InChIKey is QDFPHBQRGATJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2S/c1-8(2)14-9-3-4-15(7-9)5-6-16-10(11,12)13/h8-9,14H,3-7H2,1-2H3.
What are the key properties of N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine?
N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine has a molecular weight of 256.34 g/mol, XLogP of 2.31, 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]pyrrolidin-3-amine is sourced from PubChem (CID 106432542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).