3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-2-yl)oxan-4-ol

C16H20N2O2S — CID 154755579

IUPAC3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-2-yl)oxan-4-ol
SMILESOC1CCOCC1C1CCCN1c1ccnc2ccsc12
InChIInChI=1S/C16H20N2O2S/c19-15-4-8-20-10-11(15)13-2-1-7-18(13)14-3-6-17-12-5-9-21-16(12)14/h3,5-6,9,11,13,15,19H,1-2,4,7-8,10H2
InChIKeyZBOIZEJLSLOITC-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.66
Rot. Bonds2

About 3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-2-yl)oxan-4-ol

3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-2-yl)oxan-4-ol (PubChem CID 154755579) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-2-yl)oxan-4-ol.

Molecular Properties

Compound Name3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-2-yl)oxan-4-ol
PubChem CID154755579
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-2-yl)oxan-4-ol
SMILESOC1CCOCC1C1CCCN1c1ccnc2ccsc12
InChIInChI=1S/C16H20N2O2S/c19-15-4-8-20-10-11(15)13-2-1-7-18(13)14-3-6-17-12-5-9-21-16(12)14/h3,5-6,9,11,13,15,19H,1-2,4,7-8,10H2
InChIKeyZBOIZEJLSLOITC-UHFFFAOYSA-N
XLogP2.66
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-2-yl)oxan-4-ol?
The IUPAC name of 3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-2-yl)oxan-4-ol (CID 154755579) is 3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-2-yl)oxan-4-ol.
What is the SMILES notation for 3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-2-yl)oxan-4-ol?
The canonical SMILES for 3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-2-yl)oxan-4-ol is OC1CCOCC1C1CCCN1c1ccnc2ccsc12.
What is the InChIKey of 3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-2-yl)oxan-4-ol?
The InChIKey is ZBOIZEJLSLOITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c19-15-4-8-20-10-11(15)13-2-1-7-18(13)14-3-6-17-12-5-9-21-16(12)14/h3,5-6,9,11,13,15,19H,1-2,4,7-8,10H2.
What are the key properties of 3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-2-yl)oxan-4-ol?
3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-2-yl)oxan-4-ol has a molecular weight of 304.41 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-2-yl)oxan-4-ol is sourced from PubChem (CID 154755579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).