4-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine

C15H20N4O3S2 — CID 1168068

IUPAC4-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine
SMILESCCSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C
InChIInChI=1S/C15H20N4O3S2/c1-3-23-15-17-16-14(18(15)2)12-4-6-13(7-5-12)24(20,21)19-8-10-22-11-9-19/h4-7H,3,8-11H2,1-2H3
InChIKeyWYDZDLKETFSTMC-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.62
Rot. Bonds5

About 4-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine

4-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine (PubChem CID 1168068) has the molecular formula C15H20N4O3S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine
PubChem CID1168068
Molecular FormulaC15H20N4O3S2
Molecular Weight368.48 g/mol
Exact Mass368.10
IUPAC Name4-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine
SMILESCCSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C
InChIInChI=1S/C15H20N4O3S2/c1-3-23-15-17-16-14(18(15)2)12-4-6-13(7-5-12)24(20,21)19-8-10-22-11-9-19/h4-7H,3,8-11H2,1-2H3
InChIKeyWYDZDLKETFSTMC-UHFFFAOYSA-N
XLogP1.62
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine (CID 1168068) is 4-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine is CCSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C.
What is the InChIKey of 4-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine?
The InChIKey is WYDZDLKETFSTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S2/c1-3-23-15-17-16-14(18(15)2)12-4-6-13(7-5-12)24(20,21)19-8-10-22-11-9-19/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 4-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine?
4-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine has a molecular weight of 368.48 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 1168068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).