N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]ethanamine

C11H21N5S — CID 55074770

IUPACN-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCN2CCSCC2)nn1
InChIInChI=1S/C11H21N5S/c1-2-12-9-11-10-16(14-13-11)4-3-15-5-7-17-8-6-15/h10,12H,2-9H2,1H3
InChIKeyAEWUGGVJZLYMCH-UHFFFAOYSA-N
MW255.39 g/mol
LogP0.44
Rot. Bonds6

About N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]ethanamine

N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]ethanamine (PubChem CID 55074770) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]ethanamine
PubChem CID55074770
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC NameN-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCN2CCSCC2)nn1
InChIInChI=1S/C11H21N5S/c1-2-12-9-11-10-16(14-13-11)4-3-15-5-7-17-8-6-15/h10,12H,2-9H2,1H3
InChIKeyAEWUGGVJZLYMCH-UHFFFAOYSA-N
XLogP0.44
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine
CID 62967065
2-[4-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]triazol-1-yl]ethanamine
CID 65944967
N-[[1-(3-fluoropropyl)triazol-4-yl]methyl]propan-1-amine
CID 81109504
1-[[3-(2-Fluoroethyl)triazol-4-yl]methyl]piperazine
CID 84679764
N-[(1-tert-butyltriazol-4-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 103527064
N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 103698649
N-[(3-methyltriazol-4-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 103739291
2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 113545446
N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]triazol-4-yl]methanamine
CID 116617504
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]triazol-4-yl]methyl]ethanamine
CID 116617505
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 116617506
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 116628018

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]ethanamine (CID 55074770) is N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]ethanamine is CCNCc1cn(CCN2CCSCC2)nn1.
What is the InChIKey of N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]ethanamine?
The InChIKey is AEWUGGVJZLYMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-2-12-9-11-10-16(14-13-11)4-3-15-5-7-17-8-6-15/h10,12H,2-9H2,1H3.
What are the key properties of N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]ethanamine?
N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]ethanamine has a molecular weight of 255.39 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 55074770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).