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

C8H15F3N2S — CID 82760893

IUPACN-methyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCSC1CNCC1N(C)CC(F)(F)F
InChIInChI=1S/C8H15F3N2S/c1-13(5-8(9,10)11)6-3-12-4-7(6)14-2/h6-7,12H,3-5H2,1-2H3
InChIKeyRTRDAMAASDEZHG-UHFFFAOYSA-N
MW228.28 g/mol
LogP1.18
Rot. Bonds3

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

N-methyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 82760893) has the molecular formula C8H15F3N2S and a molecular weight of 228.28 g/mol. Its IUPAC name is N-methyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID82760893
Molecular FormulaC8H15F3N2S
Molecular Weight228.28 g/mol
Exact Mass228.09
IUPAC NameN-methyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCSC1CNCC1N(C)CC(F)(F)F
InChIInChI=1S/C8H15F3N2S/c1-13(5-8(9,10)11)6-3-12-4-7(6)14-2/h6-7,12H,3-5H2,1-2H3
InChIKeyRTRDAMAASDEZHG-UHFFFAOYSA-N
XLogP1.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 82760893) is N-methyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is CSC1CNCC1N(C)CC(F)(F)F.
What is the InChIKey of N-methyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is RTRDAMAASDEZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2S/c1-13(5-8(9,10)11)6-3-12-4-7(6)14-2/h6-7,12H,3-5H2,1-2H3.
What are the key properties of N-methyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
N-methyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 228.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 82760893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).