N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide

C12H21N5OS — CID 114627546

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCn1cnnc1CCNC(=O)CSC1CCNCC1
InChIInChI=1S/C12H21N5OS/c1-17-9-15-16-11(17)4-7-14-12(18)8-19-10-2-5-13-6-3-10/h9-10,13H,2-8H2,1H3,(H,14,18)
InChIKeyYIJMLHMSRIKMLF-UHFFFAOYSA-N
MW283.40 g/mol
LogP-0.04
Rot. Bonds6

About N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114627546) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
PubChem CID114627546
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCn1cnnc1CCNC(=O)CSC1CCNCC1
InChIInChI=1S/C12H21N5OS/c1-17-9-15-16-11(17)4-7-14-12(18)8-19-10-2-5-13-6-3-10/h9-10,13H,2-8H2,1H3,(H,14,18)
InChIKeyYIJMLHMSRIKMLF-UHFFFAOYSA-N
XLogP-0.04
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(ethylthio)propanoyl]-4-(4H-1,2,4-triazol-3-yl)piperidine
CID 90648217
3-(methylthio)-N-[1-(1-methyl-1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 91790249
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-(5-methylthiolane-2-carbonyl)piperazine-1-carboxamide
CID 167530292
N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
CID 6489567
N-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]tetrahydro-2H-thiopyran-4-amine
CID 50950981
1-[4-[1-(4-Methyl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]ethanone
CID 43783818
1-[4-(4-Ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-propylsulfanylethanone
CID 53616267
[3-(4-Methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 54873324
1-[4-[2-(4-Methyl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]ethanone
CID 55201903
2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-hexylacetamide
CID 60220579
(2S)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 61164029
(2S)-2-amino-4-methylsulfanyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one
CID 61164938

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide (CID 114627546) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide is Cn1cnnc1CCNC(=O)CSC1CCNCC1.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is YIJMLHMSRIKMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-17-9-15-16-11(17)4-7-14-12(18)8-19-10-2-5-13-6-3-10/h9-10,13H,2-8H2,1H3,(H,14,18).
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 283.40 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114627546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).