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

C10H19F3N2S — CID 106429781

IUPACN-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
SMILESCCCNC1CCN(CCSC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2S/c1-2-4-14-9-3-5-15(8-9)6-7-16-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyPTERFOVPDYGCKN-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.31
Rot. Bonds6

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

N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine (PubChem CID 106429781) has the molecular formula C10H19F3N2S and a molecular weight of 256.34 g/mol. Its IUPAC name is N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
PubChem CID106429781
Molecular FormulaC10H19F3N2S
Molecular Weight256.34 g/mol
Exact Mass256.12
IUPAC NameN-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
SMILESCCCNC1CCN(CCSC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2S/c1-2-4-14-9-3-5-15(8-9)6-7-16-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyPTERFOVPDYGCKN-UHFFFAOYSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine (CID 106429781) is N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine is CCCNC1CCN(CCSC(F)(F)F)C1.
What is the InChIKey of N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine?
The InChIKey is PTERFOVPDYGCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2S/c1-2-4-14-9-3-5-15(8-9)6-7-16-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine?
N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine has a molecular weight of 256.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 106429781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).