4-(aminomethyl)-N-(2,2,2-trifluoroethyl)thian-4-amine

C8H15F3N2S — CID 65376349

IUPAC4-(aminomethyl)-N-(2,2,2-trifluoroethyl)thian-4-amine
SMILESNCC1(NCC(F)(F)F)CCSCC1
InChIInChI=1S/C8H15F3N2S/c9-8(10,11)6-13-7(5-12)1-3-14-4-2-7/h13H,1-6,12H2
InChIKeyYRNJJLFBEKBIQM-UHFFFAOYSA-N
MW228.28 g/mol
LogP1.36
Rot. Bonds3

About 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)thian-4-amine

4-(aminomethyl)-N-(2,2,2-trifluoroethyl)thian-4-amine (PubChem CID 65376349) has the molecular formula C8H15F3N2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)thian-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,2,2-trifluoroethyl)thian-4-amine
PubChem CID65376349
Molecular FormulaC8H15F3N2S
Molecular Weight228.28 g/mol
Exact Mass228.09
IUPAC Name4-(aminomethyl)-N-(2,2,2-trifluoroethyl)thian-4-amine
SMILESNCC1(NCC(F)(F)F)CCSCC1
InChIInChI=1S/C8H15F3N2S/c9-8(10,11)6-13-7(5-12)1-3-14-4-2-7/h13H,1-6,12H2
InChIKeyYRNJJLFBEKBIQM-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Aminomethyl-2-methyl-3-athyl-thiomorpholin
CID 110192120
[4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]thian-4-yl]methanamine
CID 54981886
4-(2,2,2-Trifluoroethylamino)thiane-4-carbonitrile
CID 61320252
3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thian-3-amine
CID 65376561
3-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 65378023
4-(aminomethyl)-1,1-dioxo-N-(2,2,2-trifluoroethyl)thian-4-amine
CID 65378652
3-(aminomethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)thian-3-amine
CID 79948227
3-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)thian-3-amine
CID 79951032
3-(aminomethyl)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)thian-3-amine
CID 79958602
[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
3-(aminomethyl)-N-(2,2-difluoroethyl)-2-methylthiolan-3-amine
CID 108424318

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)thian-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)thian-4-amine (CID 65376349) is 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)thian-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)thian-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)thian-4-amine is NCC1(NCC(F)(F)F)CCSCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)thian-4-amine?
The InChIKey is YRNJJLFBEKBIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2S/c9-8(10,11)6-13-7(5-12)1-3-14-4-2-7/h13H,1-6,12H2.
What are the key properties of 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)thian-4-amine?
4-(aminomethyl)-N-(2,2,2-trifluoroethyl)thian-4-amine has a molecular weight of 228.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)thian-4-amine is sourced from PubChem (CID 65376349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).