N-cyclohexyl-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C16H27N5O2S — CID 653745

IUPACN-cyclohexyl-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCn1c(CN2CCOCC2)nnc1SCC(=O)NC1CCCCC1
InChIInChI=1S/C16H27N5O2S/c1-20-14(11-21-7-9-23-10-8-21)18-19-16(20)24-12-15(22)17-13-5-3-2-4-6-13/h13H,2-12H2,1H3,(H,17,22)
InChIKeyLOVIMSDYFBWBCQ-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.19
Rot. Bonds6

About N-cyclohexyl-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-cyclohexyl-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 653745) has the molecular formula C16H27N5O2S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID653745
Molecular FormulaC16H27N5O2S
Molecular Weight353.49 g/mol
Exact Mass353.19
IUPAC NameN-cyclohexyl-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCn1c(CN2CCOCC2)nnc1SCC(=O)NC1CCCCC1
InChIInChI=1S/C16H27N5O2S/c1-20-14(11-21-7-9-23-10-8-21)18-19-16(20)24-12-15(22)17-13-5-3-2-4-6-13/h13H,2-12H2,1H3,(H,17,22)
InChIKeyLOVIMSDYFBWBCQ-UHFFFAOYSA-N
XLogP1.19
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclohexyl-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

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Related Compounds

2-[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)thio]-N-cyclohexylacetamide
CID 2988768
2-(4-Methyl-5-morpholin-4-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1089226
N-Cyclopentyl-2-[4-(2-methoxy-ethyl)-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 24761966
2-[[4-(2-Methoxyethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 3212508
N-cyclohexyl-2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6464282
N-Cyclohexyl-2-[4-(2-methoxy-ethyl)-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 24761955
4-(5-Carbamoylmethylsulfanyl-4-methyl-4H-[1,2,4]triazol-3-yl)-piperidine-1-carboxylic acid cyclohexylamide
CID 655121
2-[4-(3-Methoxy-propyl)-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl]-1-(2-methyl-piperidin-1-yl)-ethanone
CID 3212509
N-(2-methylcyclohexyl)-2-{[4-methyl-5-(4-morpholinylmethyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
CID 2952245
N-cyclohexyl-2-[(4-cyclohexyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 848421
2-(4-Methyl-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 1451285
N-Cyclopentyl-2-[5-isopropyl-4-(2-methoxy-ethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 3212537

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 653745) is N-cyclohexyl-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is Cn1c(CN2CCOCC2)nnc1SCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is LOVIMSDYFBWBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2S/c1-20-14(11-21-7-9-23-10-8-21)18-19-16(20)24-12-15(22)17-13-5-3-2-4-6-13/h13H,2-12H2,1H3,(H,17,22).
What are the key properties of N-cyclohexyl-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-cyclohexyl-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 353.49 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 653745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).