2-(thieno[3,2-c]pyridin-4-ylamino)cyclohexan-1-ol

C13H16N2OS — CID 62361107

IUPAC2-(thieno[3,2-c]pyridin-4-ylamino)cyclohexan-1-ol
SMILESOC1CCCCC1Nc1nccc2sccc12
InChIInChI=1S/C13H16N2OS/c16-11-4-2-1-3-10(11)15-13-9-6-8-17-12(9)5-7-14-13/h5-8,10-11,16H,1-4H2,(H,14,15)
InChIKeyZBXRCGLFSKTQBI-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.01
Rot. Bonds2

About 2-(thieno[3,2-c]pyridin-4-ylamino)cyclohexan-1-ol

2-(thieno[3,2-c]pyridin-4-ylamino)cyclohexan-1-ol (PubChem CID 62361107) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(thieno[3,2-c]pyridin-4-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(thieno[3,2-c]pyridin-4-ylamino)cyclohexan-1-ol
PubChem CID62361107
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-(thieno[3,2-c]pyridin-4-ylamino)cyclohexan-1-ol
SMILESOC1CCCCC1Nc1nccc2sccc12
InChIInChI=1S/C13H16N2OS/c16-11-4-2-1-3-10(11)15-13-9-6-8-17-12(9)5-7-14-13/h5-8,10-11,16H,1-4H2,(H,14,15)
InChIKeyZBXRCGLFSKTQBI-UHFFFAOYSA-N
XLogP3.01
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(thieno[3,2-c]pyridin-4-ylamino)cyclohexan-1-ol?
The IUPAC name of 2-(thieno[3,2-c]pyridin-4-ylamino)cyclohexan-1-ol (CID 62361107) is 2-(thieno[3,2-c]pyridin-4-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 2-(thieno[3,2-c]pyridin-4-ylamino)cyclohexan-1-ol?
The canonical SMILES for 2-(thieno[3,2-c]pyridin-4-ylamino)cyclohexan-1-ol is OC1CCCCC1Nc1nccc2sccc12.
What is the InChIKey of 2-(thieno[3,2-c]pyridin-4-ylamino)cyclohexan-1-ol?
The InChIKey is ZBXRCGLFSKTQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c16-11-4-2-1-3-10(11)15-13-9-6-8-17-12(9)5-7-14-13/h5-8,10-11,16H,1-4H2,(H,14,15).
What are the key properties of 2-(thieno[3,2-c]pyridin-4-ylamino)cyclohexan-1-ol?
2-(thieno[3,2-c]pyridin-4-ylamino)cyclohexan-1-ol has a molecular weight of 248.35 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thieno[3,2-c]pyridin-4-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 62361107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).