4-thieno[3,2-b]pyridin-2-ylcyclohexan-1-one

C13H13NOS — CID 141200271

IUPAC4-thieno[3,2-b]pyridin-2-ylcyclohexan-1-one
SMILESO=C1CCC(c2cc3ncccc3s2)CC1
InChIInChI=1S/C13H13NOS/c15-10-5-3-9(4-6-10)13-8-11-12(16-13)2-1-7-14-11/h1-2,7-9H,3-6H2
InChIKeyZHMQIVIKTAQDPN-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.52
Rot. Bonds1

About 4-thieno[3,2-b]pyridin-2-ylcyclohexan-1-one

4-thieno[3,2-b]pyridin-2-ylcyclohexan-1-one (PubChem CID 141200271) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 4-thieno[3,2-b]pyridin-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name4-thieno[3,2-b]pyridin-2-ylcyclohexan-1-one
PubChem CID141200271
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name4-thieno[3,2-b]pyridin-2-ylcyclohexan-1-one
SMILESO=C1CCC(c2cc3ncccc3s2)CC1
InChIInChI=1S/C13H13NOS/c15-10-5-3-9(4-6-10)13-8-11-12(16-13)2-1-7-14-11/h1-2,7-9H,3-6H2
InChIKeyZHMQIVIKTAQDPN-UHFFFAOYSA-N
XLogP3.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-thieno[3,2-b]pyridin-2-ylcyclohexan-1-one?
The IUPAC name of 4-thieno[3,2-b]pyridin-2-ylcyclohexan-1-one (CID 141200271) is 4-thieno[3,2-b]pyridin-2-ylcyclohexan-1-one.
What is the SMILES notation for 4-thieno[3,2-b]pyridin-2-ylcyclohexan-1-one?
The canonical SMILES for 4-thieno[3,2-b]pyridin-2-ylcyclohexan-1-one is O=C1CCC(c2cc3ncccc3s2)CC1.
What is the InChIKey of 4-thieno[3,2-b]pyridin-2-ylcyclohexan-1-one?
The InChIKey is ZHMQIVIKTAQDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c15-10-5-3-9(4-6-10)13-8-11-12(16-13)2-1-7-14-11/h1-2,7-9H,3-6H2.
What are the key properties of 4-thieno[3,2-b]pyridin-2-ylcyclohexan-1-one?
4-thieno[3,2-b]pyridin-2-ylcyclohexan-1-one has a molecular weight of 231.32 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thieno[3,2-b]pyridin-2-ylcyclohexan-1-one is sourced from PubChem (CID 141200271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).