N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide

C13H23N5OS — CID 6489567

IUPACN-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
SMILESCCSc1nnc(CCNC(=O)N2CCCCC2)n1C
InChIInChI=1S/C13H23N5OS/c1-3-20-13-16-15-11(17(13)2)7-8-14-12(19)18-9-5-4-6-10-18/h3-10H2,1-2H3,(H,14,19)
InChIKeyXWBYAOWHODHFTQ-UHFFFAOYSA-N
MW297.43 g/mol
LogP1.67
Rot. Bonds5

About N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide

N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide (PubChem CID 6489567) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
PubChem CID6489567
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC NameN-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
SMILESCCSc1nnc(CCNC(=O)N2CCCCC2)n1C
InChIInChI=1S/C13H23N5OS/c1-3-20-13-16-15-11(17(13)2)7-8-14-12(19)18-9-5-4-6-10-18/h3-10H2,1-2H3,(H,14,19)
InChIKeyXWBYAOWHODHFTQ-UHFFFAOYSA-N
XLogP1.67
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Cyclopropyl-2-(4-ethyl-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1451308
N-Cyclopentyl-2-(5-isopropyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1451346
N-Cyclohexyl-2-(5-isopropyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1451347
2-[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)thio]-N-cyclohexylacetamide
CID 2988768
2-(4-Ethyl-5-isopropyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-methyl-acetamide
CID 655295
1-Piperidin-1-yl-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 855207
N-Cyclopentyl-2-(4-ethyl-5-isopropyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 855201
N-Cyclopentyl-2-(5-isopropyl-4-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 855224
N-cyclopentyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1451150
N-Cyclopropyl-2-(4-methyl-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1451306
N-cyclohexyl-2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6464282
N-cyclopentyl-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6470686

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide (CID 6489567) is N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide is CCSc1nnc(CCNC(=O)N2CCCCC2)n1C.
What is the InChIKey of N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is XWBYAOWHODHFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-3-20-13-16-15-11(17(13)2)7-8-14-12(19)18-9-5-4-6-10-18/h3-10H2,1-2H3,(H,14,19).
What are the key properties of N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 297.43 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 6489567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).