3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine

C8H15F3N2S — CID 114995668

IUPAC3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
SMILESCN(CC(F)(F)F)C1(CN)CCSC1
InChIInChI=1S/C8H15F3N2S/c1-13(5-8(9,10)11)7(4-12)2-3-14-6-7/h2-6,12H2,1H3
InChIKeyNXTFPCOYKINXSN-UHFFFAOYSA-N
MW228.28 g/mol
LogP1.31
Rot. Bonds3

About 3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine

3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine (PubChem CID 114995668) has the molecular formula C8H15F3N2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
PubChem CID114995668
Molecular FormulaC8H15F3N2S
Molecular Weight228.28 g/mol
Exact Mass228.09
IUPAC Name3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
SMILESCN(CC(F)(F)F)C1(CN)CCSC1
InChIInChI=1S/C8H15F3N2S/c1-13(5-8(9,10)11)7(4-12)2-3-14-6-7/h2-6,12H2,1H3
InChIKeyNXTFPCOYKINXSN-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
CID 43173289
3,3,3-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)propane-1,2-diamine
CID 43752712
1,1,1-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)butane-2,3-diamine
CID 61647856
1,1,1-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)pentane-2,3-diamine
CID 61647857
3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 65378023
[5-Methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
CID 79949744
3-(aminomethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 79950713
N'-(thiolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 83823698
2-N-(thiolan-3-yl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 83824990
3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
CID 107424430
[2-Methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
CID 108424065
3-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 108424285

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine (CID 114995668) is 3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine is CN(CC(F)(F)F)C1(CN)CCSC1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine?
The InChIKey is NXTFPCOYKINXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2S/c1-13(5-8(9,10)11)7(4-12)2-3-14-6-7/h2-6,12H2,1H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine?
3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine has a molecular weight of 228.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine is sourced from PubChem (CID 114995668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).