4-(2,5-dimethylfuran-3-yl)sulfonyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine

C14H20N4O4S — CID 167813407

IUPAC4-(2,5-dimethylfuran-3-yl)sulfonyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCCc1nc(C2CN(S(=O)(=O)c3cc(C)oc3C)CCO2)n[nH]1
InChIInChI=1S/C14H20N4O4S/c1-4-13-15-14(17-16-13)11-8-18(5-6-21-11)23(19,20)12-7-9(2)22-10(12)3/h7,11H,4-6,8H2,1-3H3,(H,15,16,17)
InChIKeyOZBWRZBNLQAGAG-UHFFFAOYSA-N
MW340.41 g/mol
LogP1.34
Rot. Bonds4

About 4-(2,5-dimethylfuran-3-yl)sulfonyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine

4-(2,5-dimethylfuran-3-yl)sulfonyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine (PubChem CID 167813407) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is 4-(2,5-dimethylfuran-3-yl)sulfonyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(2,5-dimethylfuran-3-yl)sulfonyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
PubChem CID167813407
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC Name4-(2,5-dimethylfuran-3-yl)sulfonyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCCc1nc(C2CN(S(=O)(=O)c3cc(C)oc3C)CCO2)n[nH]1
InChIInChI=1S/C14H20N4O4S/c1-4-13-15-14(17-16-13)11-8-18(5-6-21-11)23(19,20)12-7-9(2)22-10(12)3/h7,11H,4-6,8H2,1-3H3,(H,15,16,17)
InChIKeyOZBWRZBNLQAGAG-UHFFFAOYSA-N
XLogP1.34
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylfuran-3-yl)sulfonyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-(2,5-dimethylfuran-3-yl)sulfonyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine (CID 167813407) is 4-(2,5-dimethylfuran-3-yl)sulfonyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-(2,5-dimethylfuran-3-yl)sulfonyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-(2,5-dimethylfuran-3-yl)sulfonyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine is CCc1nc(C2CN(S(=O)(=O)c3cc(C)oc3C)CCO2)n[nH]1.
What is the InChIKey of 4-(2,5-dimethylfuran-3-yl)sulfonyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
The InChIKey is OZBWRZBNLQAGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-4-13-15-14(17-16-13)11-8-18(5-6-21-11)23(19,20)12-7-9(2)22-10(12)3/h7,11H,4-6,8H2,1-3H3,(H,15,16,17).
What are the key properties of 4-(2,5-dimethylfuran-3-yl)sulfonyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
4-(2,5-dimethylfuran-3-yl)sulfonyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine has a molecular weight of 340.41 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylfuran-3-yl)sulfonyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 167813407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).