8-N-thieno[3,2-c]pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine

C14H17N3OS — CID 66211171

IUPAC8-N-thieno[3,2-c]pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine
SMILESNC1C2CCCOC2C1Nc1nccc2sccc12
InChIInChI=1S/C14H17N3OS/c15-11-9-2-1-6-18-13(9)12(11)17-14-8-4-7-19-10(8)3-5-16-14/h3-5,7,9,11-13H,1-2,6,15H2,(H,16,17)
InChIKeyGLUQIOBSVPVEFQ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.21
Rot. Bonds2

About 8-N-thieno[3,2-c]pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine

8-N-thieno[3,2-c]pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine (PubChem CID 66211171) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 8-N-thieno[3,2-c]pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine.

Molecular Properties

Compound Name8-N-thieno[3,2-c]pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine
PubChem CID66211171
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name8-N-thieno[3,2-c]pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine
SMILESNC1C2CCCOC2C1Nc1nccc2sccc12
InChIInChI=1S/C14H17N3OS/c15-11-9-2-1-6-18-13(9)12(11)17-14-8-4-7-19-10(8)3-5-16-14/h3-5,7,9,11-13H,1-2,6,15H2,(H,16,17)
InChIKeyGLUQIOBSVPVEFQ-UHFFFAOYSA-N
XLogP2.21
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-N-thieno[3,2-c]pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The IUPAC name of 8-N-thieno[3,2-c]pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine (CID 66211171) is 8-N-thieno[3,2-c]pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine.
What is the SMILES notation for 8-N-thieno[3,2-c]pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The canonical SMILES for 8-N-thieno[3,2-c]pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine is NC1C2CCCOC2C1Nc1nccc2sccc12.
What is the InChIKey of 8-N-thieno[3,2-c]pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The InChIKey is GLUQIOBSVPVEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c15-11-9-2-1-6-18-13(9)12(11)17-14-8-4-7-19-10(8)3-5-16-14/h3-5,7,9,11-13H,1-2,6,15H2,(H,16,17).
What are the key properties of 8-N-thieno[3,2-c]pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine?
8-N-thieno[3,2-c]pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine has a molecular weight of 275.38 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-thieno[3,2-c]pyridin-4-yl-2-oxabicyclo[4.2.0]octane-7,8-diamine is sourced from PubChem (CID 66211171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).