4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2,2,5,5-tetramethyloxolan-3-one

C16H23NO2S — CID 79934271

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN2CCc3sccc3C2)C1=O
InChIInChI=1S/C16H23NO2S/c1-15(2)12(14(18)16(3,4)19-15)10-17-7-5-13-11(9-17)6-8-20-13/h6,8,12H,5,7,9-10H2,1-4H3
InChIKeyRHCUOVIUMFHSNA-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.88
Rot. Bonds2

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2,2,5,5-tetramethyloxolan-3-one

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 79934271) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2,2,5,5-tetramethyloxolan-3-one
PubChem CID79934271
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN2CCc3sccc3C2)C1=O
InChIInChI=1S/C16H23NO2S/c1-15(2)12(14(18)16(3,4)19-15)10-17-7-5-13-11(9-17)6-8-20-13/h6,8,12H,5,7,9-10H2,1-4H3
InChIKeyRHCUOVIUMFHSNA-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2,2,5,5-tetramethyloxolan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2,2,5,5-tetramethyloxolan-3-one (CID 79934271) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2,2,5,5-tetramethyloxolan-3-one is CC1(C)OC(C)(C)C(CN2CCc3sccc3C2)C1=O.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is RHCUOVIUMFHSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-15(2)12(14(18)16(3,4)19-15)10-17-7-5-13-11(9-17)6-8-20-13/h6,8,12H,5,7,9-10H2,1-4H3.
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2,2,5,5-tetramethyloxolan-3-one?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 293.43 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 79934271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).