ethane;5-morpholin-4-yl-3-propan-2-ylthieno[3,2-b]pyran-7-one

C16H23NO3S — CID 142505811

IUPACethane;5-morpholin-4-yl-3-propan-2-ylthieno[3,2-b]pyran-7-one
SMILESCC.CC(C)c1csc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C14H17NO3S.C2H6/c1-9(2)10-8-19-14-11(16)7-12(18-13(10)14)15-3-5-17-6-4-15;1-2/h7-9H,3-6H2,1-2H3;1-2H3
InChIKeyKCZISYGMGIPUNO-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.84
Rot. Bonds2

About ethane;5-morpholin-4-yl-3-propan-2-ylthieno[3,2-b]pyran-7-one

ethane;5-morpholin-4-yl-3-propan-2-ylthieno[3,2-b]pyran-7-one (PubChem CID 142505811) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is ethane;5-morpholin-4-yl-3-propan-2-ylthieno[3,2-b]pyran-7-one.

Molecular Properties

Compound Nameethane;5-morpholin-4-yl-3-propan-2-ylthieno[3,2-b]pyran-7-one
PubChem CID142505811
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Nameethane;5-morpholin-4-yl-3-propan-2-ylthieno[3,2-b]pyran-7-one
SMILESCC.CC(C)c1csc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C14H17NO3S.C2H6/c1-9(2)10-8-19-14-11(16)7-12(18-13(10)14)15-3-5-17-6-4-15;1-2/h7-9H,3-6H2,1-2H3;1-2H3
InChIKeyKCZISYGMGIPUNO-UHFFFAOYSA-N
XLogP3.84
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one
CID 143839150
5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one
CID 118547303
ethane;5-morpholin-4-yl-3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]thieno[3,2-b]pyran-7-one;propane
CID 142505695
ethane;5-morpholin-4-yl-3-(3-propanoylphenyl)thieno[3,2-b]pyran-7-one
CID 142505751
3-methyl-5-piperidin-1-ylthieno[3,2-b]pyran-7-one
CID 135275988
N-hydroxy-4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)benzamide
CID 118547301
3-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-4-yl]-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 157029212
3-(4-but-2-ynoyl-1-methyl-2,3-dihydroquinoxalin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 146319968
2-chloro-2-fluoro-N-[3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]acetamide
CID 146320046
3-[3-(ethenylsulfanylamino)phenyl]-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 153397307
5-morpholin-4-yl-3-(4-prop-2-enyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)thieno[3,2-b]pyran-7-one
CID 153397302
N-[4-fluoro-3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]but-2-ynamide
CID 146319971

Frequently Asked Questions

What is the IUPAC name of ethane;5-morpholin-4-yl-3-propan-2-ylthieno[3,2-b]pyran-7-one?
The IUPAC name of ethane;5-morpholin-4-yl-3-propan-2-ylthieno[3,2-b]pyran-7-one (CID 142505811) is ethane;5-morpholin-4-yl-3-propan-2-ylthieno[3,2-b]pyran-7-one.
What is the SMILES notation for ethane;5-morpholin-4-yl-3-propan-2-ylthieno[3,2-b]pyran-7-one?
The canonical SMILES for ethane;5-morpholin-4-yl-3-propan-2-ylthieno[3,2-b]pyran-7-one is CC.CC(C)c1csc2c(=O)cc(N3CCOCC3)oc12.
What is the InChIKey of ethane;5-morpholin-4-yl-3-propan-2-ylthieno[3,2-b]pyran-7-one?
The InChIKey is KCZISYGMGIPUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S.C2H6/c1-9(2)10-8-19-14-11(16)7-12(18-13(10)14)15-3-5-17-6-4-15;1-2/h7-9H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;5-morpholin-4-yl-3-propan-2-ylthieno[3,2-b]pyran-7-one?
ethane;5-morpholin-4-yl-3-propan-2-ylthieno[3,2-b]pyran-7-one has a molecular weight of 309.43 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-morpholin-4-yl-3-propan-2-ylthieno[3,2-b]pyran-7-one is sourced from PubChem (CID 142505811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).