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

C9H17F3N2S — CID 114996951

IUPAC3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
SMILESCCN(CC(F)(F)F)C1(CN)CCSC1
InChIInChI=1S/C9H17F3N2S/c1-2-14(6-9(10,11)12)8(5-13)3-4-15-7-8/h2-7,13H2,1H3
InChIKeyQRIYFVLULMZMMU-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.71
Rot. Bonds4

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

3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine (PubChem CID 114996951) has the molecular formula C9H17F3N2S and a molecular weight of 242.31 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
PubChem CID114996951
Molecular FormulaC9H17F3N2S
Molecular Weight242.31 g/mol
Exact Mass242.11
IUPAC Name3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
SMILESCCN(CC(F)(F)F)C1(CN)CCSC1
InChIInChI=1S/C9H17F3N2S/c1-2-14(6-9(10,11)12)8(5-13)3-4-15-7-8/h2-7,13H2,1H3
InChIKeyQRIYFVLULMZMMU-UHFFFAOYSA-N
XLogP1.71
TPSA29.26 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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
N'-methyl-N'-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559627
2-N-methyl-2-N-(thiolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62568969
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
2-N-(thiolan-3-yl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 83824990
[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-ethyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine (CID 114996951) is 3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine is CCN(CC(F)(F)F)C1(CN)CCSC1.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine?
The InChIKey is QRIYFVLULMZMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2S/c1-2-14(6-9(10,11)12)8(5-13)3-4-15-7-8/h2-7,13H2,1H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine?
3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine has a molecular weight of 242.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine is sourced from PubChem (CID 114996951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).