N-methyl-4-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine

C9H17F3N2S — CID 82760337

IUPACN-methyl-4-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
SMILESCSC1CNCC1N(C)CCC(F)(F)F
InChIInChI=1S/C9H17F3N2S/c1-14(4-3-9(10,11)12)7-5-13-6-8(7)15-2/h7-8,13H,3-6H2,1-2H3
InChIKeyYYULFDLZTRWNGA-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.57
Rot. Bonds4

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

N-methyl-4-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine (PubChem CID 82760337) has the molecular formula C9H17F3N2S and a molecular weight of 242.31 g/mol. Its IUPAC name is N-methyl-4-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-4-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
PubChem CID82760337
Molecular FormulaC9H17F3N2S
Molecular Weight242.31 g/mol
Exact Mass242.11
IUPAC NameN-methyl-4-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
SMILESCSC1CNCC1N(C)CCC(F)(F)F
InChIInChI=1S/C9H17F3N2S/c1-14(4-3-9(10,11)12)7-5-13-6-8(7)15-2/h7-8,13H,3-6H2,1-2H3
InChIKeyYYULFDLZTRWNGA-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-methyl-4-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-4-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine (CID 82760337) is N-methyl-4-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-4-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-4-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine is CSC1CNCC1N(C)CCC(F)(F)F.
What is the InChIKey of N-methyl-4-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine?
The InChIKey is YYULFDLZTRWNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2S/c1-14(4-3-9(10,11)12)7-5-13-6-8(7)15-2/h7-8,13H,3-6H2,1-2H3.
What are the key properties of N-methyl-4-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine?
N-methyl-4-methylsulfanyl-N-(3,3,3-trifluoropropyl)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-methyl-4-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine is sourced from PubChem (CID 82760337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).