4-[[5-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine

C15H27N5O3S — CID 70773391

IUPAC4-[[5-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCCS(=O)(=O)N1CCCC(c2nnc(CN3CCOCC3)n2C)C1
InChIInChI=1S/C15H27N5O3S/c1-3-24(21,22)20-6-4-5-13(11-20)15-17-16-14(18(15)2)12-19-7-9-23-10-8-19/h13H,3-12H2,1-2H3
InChIKeyGCTYDSWOYWBLFN-UHFFFAOYSA-N
MW357.48 g/mol
LogP0.18
Rot. Bonds5

About 4-[[5-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine

4-[[5-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 70773391) has the molecular formula C15H27N5O3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 4-[[5-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID70773391
Molecular FormulaC15H27N5O3S
Molecular Weight357.48 g/mol
Exact Mass357.18
IUPAC Name4-[[5-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCCS(=O)(=O)N1CCCC(c2nnc(CN3CCOCC3)n2C)C1
InChIInChI=1S/C15H27N5O3S/c1-3-24(21,22)20-6-4-5-13(11-20)15-17-16-14(18(15)2)12-19-7-9-23-10-8-19/h13H,3-12H2,1-2H3
InChIKeyGCTYDSWOYWBLFN-UHFFFAOYSA-N
XLogP0.18
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (CID 70773391) is 4-[[5-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is CCS(=O)(=O)N1CCCC(c2nnc(CN3CCOCC3)n2C)C1.
What is the InChIKey of 4-[[5-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is GCTYDSWOYWBLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3S/c1-3-24(21,22)20-6-4-5-13(11-20)15-17-16-14(18(15)2)12-19-7-9-23-10-8-19/h13H,3-12H2,1-2H3.
What are the key properties of 4-[[5-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[5-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 357.48 g/mol, XLogP of 0.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 70773391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).