4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine

C8H15F3N2S — CID 103577037

IUPAC4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
SMILESCC1CN(CCSC(F)(F)F)CC1N
InChIInChI=1S/C8H15F3N2S/c1-6-4-13(5-7(6)12)2-3-14-8(9,10)11/h6-7H,2-5,12H2,1H3
InChIKeyAKSZMSWOCIPIKG-UHFFFAOYSA-N
MW228.28 g/mol
LogP1.52
Rot. Bonds3

About 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine

4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine (PubChem CID 103577037) has the molecular formula C8H15F3N2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
PubChem CID103577037
Molecular FormulaC8H15F3N2S
Molecular Weight228.28 g/mol
Exact Mass228.09
IUPAC Name4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
SMILESCC1CN(CCSC(F)(F)F)CC1N
InChIInChI=1S/C8H15F3N2S/c1-6-4-13(5-7(6)12)2-3-14-8(9,10)11/h6-7H,2-5,12H2,1H3
InChIKeyAKSZMSWOCIPIKG-UHFFFAOYSA-N
XLogP1.52
TPSA29.26 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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Propyl-4-(trifluoromethyl)pyrrolidin-3-amine
CID 123217163
1-Propan-2-yl-4-(trifluoromethyl)pyrrolidin-3-amine
CID 156058704
3-methylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 54927208
N-ethyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 82760081
4-methylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 82760244
4-methylsulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 82760327
N-methyl-4-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 82760337
N-methyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 82760893
4-Methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 103576762
1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
CID 103748195
1,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
CID 103778079
(3R)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
CID 104891369

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine (CID 103577037) is 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine is CC1CN(CCSC(F)(F)F)CC1N.
What is the InChIKey of 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine?
The InChIKey is AKSZMSWOCIPIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2S/c1-6-4-13(5-7(6)12)2-3-14-8(9,10)11/h6-7H,2-5,12H2,1H3.
What are the key properties of 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine?
4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine has a molecular weight of 228.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 103577037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).