N-[[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine

C14H25N5S — CID 102799312

IUPACN-[[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2n[nH]c(C3CCCS3)n2)CC1
InChIInChI=1S/C14H25N5S/c1-2-15-10-11-5-7-19(8-6-11)14-16-13(17-18-14)12-4-3-9-20-12/h11-12,15H,2-10H2,1H3,(H,16,17,18)
InChIKeyRPSWSCOSLBLKQU-UHFFFAOYSA-N
MW295.46 g/mol
LogP2.20
Rot. Bonds5

About N-[[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine

N-[[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine (PubChem CID 102799312) has the molecular formula C14H25N5S and a molecular weight of 295.46 g/mol. Its IUPAC name is N-[[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine
PubChem CID102799312
Molecular FormulaC14H25N5S
Molecular Weight295.46 g/mol
Exact Mass295.18
IUPAC NameN-[[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2n[nH]c(C3CCCS3)n2)CC1
InChIInChI=1S/C14H25N5S/c1-2-15-10-11-5-7-19(8-6-11)14-16-13(17-18-14)12-4-3-9-20-12/h11-12,15H,2-10H2,1H3,(H,16,17,18)
InChIKeyRPSWSCOSLBLKQU-UHFFFAOYSA-N
XLogP2.20
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine with MolForge

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Related Compounds

N-methyl-1-[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800095
N-[[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine
CID 102799345
N-[[1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine
CID 102799372
N-[[1-[5-(5-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine
CID 102799318
N-[[1-[5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine
CID 107960297
N-[[1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine
CID 106683946
3,5-dimethyl-1-[5-(thian-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797418
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62592824
N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 63206358
N-methyl-1-[1-[5-(2-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800155
3-(4-ethylazepan-1-yl)-1H-1,2,4-triazol-5-amine
CID 66277764
1-[1-[5-(cyclobutylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
CID 103162652

Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine (CID 102799312) is N-[[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(c2n[nH]c(C3CCCS3)n2)CC1.
What is the InChIKey of N-[[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is RPSWSCOSLBLKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5S/c1-2-15-10-11-5-7-19(8-6-11)14-16-13(17-18-14)12-4-3-9-20-12/h11-12,15H,2-10H2,1H3,(H,16,17,18).
What are the key properties of N-[[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine?
N-[[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 295.46 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 102799312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).