4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine

C17H21N3O6S — CID 128995984

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCC(C)c1nnc(C2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)CCO2)o1
InChIInChI=1S/C17H21N3O6S/c1-11(2)16-18-19-17(26-16)15-10-20(5-6-23-15)27(21,22)12-3-4-13-14(9-12)25-8-7-24-13/h3-4,9,11,15H,5-8,10H2,1-2H3
InChIKeyAHGOEGLJUJVODJ-UHFFFAOYSA-N
MW395.44 g/mol
LogP1.73
Rot. Bonds4

About 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine (PubChem CID 128995984) has the molecular formula C17H21N3O6S and a molecular weight of 395.44 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine
PubChem CID128995984
Molecular FormulaC17H21N3O6S
Molecular Weight395.44 g/mol
Exact Mass395.12
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCC(C)c1nnc(C2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)CCO2)o1
InChIInChI=1S/C17H21N3O6S/c1-11(2)16-18-19-17(26-16)15-10-20(5-6-23-15)27(21,22)12-3-4-13-14(9-12)25-8-7-24-13/h3-4,9,11,15H,5-8,10H2,1-2H3
InChIKeyAHGOEGLJUJVODJ-UHFFFAOYSA-N
XLogP1.73
TPSA103.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine (CID 128995984) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine is CC(C)c1nnc(C2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)CCO2)o1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine?
The InChIKey is AHGOEGLJUJVODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O6S/c1-11(2)16-18-19-17(26-16)15-10-20(5-6-23-15)27(21,22)12-3-4-13-14(9-12)25-8-7-24-13/h3-4,9,11,15H,5-8,10H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine?
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine has a molecular weight of 395.44 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine is sourced from PubChem (CID 128995984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).