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

C10H19F3N2S — CID 103748195

IUPAC1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
SMILESCC(C)N1CCC(NCCSC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2S/c1-8(2)15-5-3-9(7-15)14-4-6-16-10(11,12)13/h8-9,14H,3-7H2,1-2H3
InChIKeyPXAKDNGDQAJPEO-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.31
Rot. Bonds5

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

1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine (PubChem CID 103748195) has the molecular formula C10H19F3N2S and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
PubChem CID103748195
Molecular FormulaC10H19F3N2S
Molecular Weight256.34 g/mol
Exact Mass256.12
IUPAC Name1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
SMILESCC(C)N1CCC(NCCSC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2S/c1-8(2)15-5-3-9(7-15)14-4-6-16-10(11,12)13/h8-9,14H,3-7H2,1-2H3
InChIKeyPXAKDNGDQAJPEO-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine (CID 103748195) is 1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine is CC(C)N1CCC(NCCSC(F)(F)F)C1.
What is the InChIKey of 1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine?
The InChIKey is PXAKDNGDQAJPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2S/c1-8(2)15-5-3-9(7-15)14-4-6-16-10(11,12)13/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine?
1-propan-2-yl-N-[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 1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 103748195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).