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

C15H25N5O2S — CID 3231948

IUPAC[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCCSc1nnc(C2CCN(C(=O)N3CCOCC3)CC2)n1C
InChIInChI=1S/C15H25N5O2S/c1-3-23-14-17-16-13(18(14)2)12-4-6-19(7-5-12)15(21)20-8-10-22-11-9-20/h12H,3-11H2,1-2H3
InChIKeyBYIOMFXKCIFXOX-UHFFFAOYSA-N
MW339.47 g/mol
LogP1.56
Rot. Bonds3

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

[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 3231948) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is [4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID3231948
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC Name[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCCSc1nnc(C2CCN(C(=O)N3CCOCC3)CC2)n1C
InChIInChI=1S/C15H25N5O2S/c1-3-23-14-17-16-13(18(14)2)12-4-6-19(7-5-12)15(21)20-8-10-22-11-9-20/h12H,3-11H2,1-2H3
InChIKeyBYIOMFXKCIFXOX-UHFFFAOYSA-N
XLogP1.56
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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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-(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
[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
4-[2-[(5-Cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine
CID 864570
2-(5-Isopropyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 1451359
2-[(4-Ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 1451286
1-(4-Methylpiperidin-1-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 1451354
[4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 3231947

Frequently Asked Questions

What is the IUPAC name of [4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone (CID 3231948) is [4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone is CCSc1nnc(C2CCN(C(=O)N3CCOCC3)CC2)n1C.
What is the InChIKey of [4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is BYIOMFXKCIFXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-3-23-14-17-16-13(18(14)2)12-4-6-19(7-5-12)15(21)20-8-10-22-11-9-20/h12H,3-11H2,1-2H3.
What are the key properties of [4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 339.47 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3231948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).