2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylethanone

C16H27N5O2S — CID 3231953

IUPAC2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCCSc1nnc(C2CCN(CC(=O)N3CCOCC3)CC2)n1C
InChIInChI=1S/C16H27N5O2S/c1-3-24-16-18-17-15(19(16)2)13-4-6-20(7-5-13)12-14(22)21-8-10-23-11-9-21/h13H,3-12H2,1-2H3
InChIKeyMUXMIMOQFSDYLL-UHFFFAOYSA-N
MW353.49 g/mol
LogP0.97
Rot. Bonds5

About 2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylethanone

2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 3231953) has the molecular formula C16H27N5O2S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID3231953
Molecular FormulaC16H27N5O2S
Molecular Weight353.49 g/mol
Exact Mass353.19
IUPAC Name2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCCSc1nnc(C2CCN(CC(=O)N3CCOCC3)CC2)n1C
InChIInChI=1S/C16H27N5O2S/c1-3-24-16-18-17-15(19(16)2)13-4-6-20(7-5-13)12-14(22)21-8-10-23-11-9-21/h13H,3-12H2,1-2H3
InChIKeyMUXMIMOQFSDYLL-UHFFFAOYSA-N
XLogP0.97
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[4-(3-Methoxy-propyl)-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl]-1-morpholin-4-yl-ethanone
CID 656245
2-[[4-(2-Methoxyethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 3212508
2-[[4-(2-Methoxyethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 3212512
2-[(4-Amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 4695414
2-[4-(3-Methoxy-propyl)-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl]-1-piperidin-1-yl-ethanone
CID 3212503
N-(2-methylcyclohexyl)-2-{[4-methyl-5-(4-morpholinylmethyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
CID 2952245
1-(3-Methyl-piperidin-1-yl)-2-[5-propyl-4-(tetrahydro-furan-2-ylmethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-ethanone
CID 3212510
2-[4-(3-Methoxy-propyl)-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl]-1-(3-methyl-piperidin-1-yl)-ethanone
CID 648533
2-(4-Methyl-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 1451285
2-[[4-Cyclohexyl-5-[1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 4877129
[4-(5-Methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 6489303
2-Ethoxy-1-[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethanone
CID 50971282

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylethanone (CID 3231953) is 2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylethanone is CCSc1nnc(C2CCN(CC(=O)N3CCOCC3)CC2)n1C.
What is the InChIKey of 2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is MUXMIMOQFSDYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2S/c1-3-24-16-18-17-15(19(16)2)13-4-6-20(7-5-13)12-14(22)21-8-10-23-11-9-21/h13H,3-12H2,1-2H3.
What are the key properties of 2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylethanone?
2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 353.49 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 3231953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).