N-ethyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

C9H17F3N2S — CID 82760081

IUPACN-ethyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCCN(CC(F)(F)F)C1CNCC1SC
InChIInChI=1S/C9H17F3N2S/c1-3-14(6-9(10,11)12)7-4-13-5-8(7)15-2/h7-8,13H,3-6H2,1-2H3
InChIKeyOEQVGEJGSSOMIV-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.57
Rot. Bonds4

About N-ethyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

N-ethyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 82760081) has the molecular formula C9H17F3N2S and a molecular weight of 242.31 g/mol. Its IUPAC name is N-ethyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID82760081
Molecular FormulaC9H17F3N2S
Molecular Weight242.31 g/mol
Exact Mass242.11
IUPAC NameN-ethyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCCN(CC(F)(F)F)C1CNCC1SC
InChIInChI=1S/C9H17F3N2S/c1-3-14(6-9(10,11)12)7-4-13-5-8(7)15-2/h7-8,13H,3-6H2,1-2H3
InChIKeyOEQVGEJGSSOMIV-UHFFFAOYSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of N-ethyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 82760081) is N-ethyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is CCN(CC(F)(F)F)C1CNCC1SC.
What is the InChIKey of N-ethyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is OEQVGEJGSSOMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2S/c1-3-14(6-9(10,11)12)7-4-13-5-8(7)15-2/h7-8,13H,3-6H2,1-2H3.
What are the key properties of N-ethyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
N-ethyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 242.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 82760081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).