3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiomorpholin-4-ylthieno[3,2-b]pyran-7-one

C19H17NO4S2 — CID 118540004

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiomorpholin-4-ylthieno[3,2-b]pyran-7-one
SMILESO=c1cc(N2CCSCC2)oc2c(-c3ccc4c(c3)OCCO4)csc12
InChIInChI=1S/C19H17NO4S2/c21-14-10-17(20-3-7-25-8-4-20)24-18-13(11-26-19(14)18)12-1-2-15-16(9-12)23-6-5-22-15/h1-2,9-11H,3-8H2
InChIKeyFNFCCDLLOIXYPN-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.85
Rot. Bonds2

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiomorpholin-4-ylthieno[3,2-b]pyran-7-one

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiomorpholin-4-ylthieno[3,2-b]pyran-7-one (PubChem CID 118540004) has the molecular formula C19H17NO4S2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiomorpholin-4-ylthieno[3,2-b]pyran-7-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiomorpholin-4-ylthieno[3,2-b]pyran-7-one
PubChem CID118540004
Molecular FormulaC19H17NO4S2
Molecular Weight387.48 g/mol
Exact Mass387.06
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiomorpholin-4-ylthieno[3,2-b]pyran-7-one
SMILESO=c1cc(N2CCSCC2)oc2c(-c3ccc4c(c3)OCCO4)csc12
InChIInChI=1S/C19H17NO4S2/c21-14-10-17(20-3-7-25-8-4-20)24-18-13(11-26-19(14)18)12-1-2-15-16(9-12)23-6-5-22-15/h1-2,9-11H,3-8H2
InChIKeyFNFCCDLLOIXYPN-UHFFFAOYSA-N
XLogP3.85
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiomorpholin-4-ylthieno[3,2-b]pyran-7-one?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiomorpholin-4-ylthieno[3,2-b]pyran-7-one (CID 118540004) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiomorpholin-4-ylthieno[3,2-b]pyran-7-one.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiomorpholin-4-ylthieno[3,2-b]pyran-7-one?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiomorpholin-4-ylthieno[3,2-b]pyran-7-one is O=c1cc(N2CCSCC2)oc2c(-c3ccc4c(c3)OCCO4)csc12.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiomorpholin-4-ylthieno[3,2-b]pyran-7-one?
The InChIKey is FNFCCDLLOIXYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S2/c21-14-10-17(20-3-7-25-8-4-20)24-18-13(11-26-19(14)18)12-1-2-15-16(9-12)23-6-5-22-15/h1-2,9-11H,3-8H2.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiomorpholin-4-ylthieno[3,2-b]pyran-7-one?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiomorpholin-4-ylthieno[3,2-b]pyran-7-one has a molecular weight of 387.48 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiomorpholin-4-ylthieno[3,2-b]pyran-7-one is sourced from PubChem (CID 118540004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).