cis-(1S,2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexan-1-ol

C13H19NOS — CID 129365586

IUPACcis-(1S,2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@H]1N1CCc2sccc2C1
InChIInChI=1S/C13H19NOS/c15-12-4-2-1-3-11(12)14-7-5-13-10(9-14)6-8-16-13/h6,8,11-12,15H,1-5,7,9H2/t11-,12+/m1/s1
InChIKeyALWUJNWBDWOKIF-NEPJUHHUSA-N
MW237.37 g/mol
LogP2.41
Rot. Bonds1

About cis-(1S,2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexan-1-ol

cis-(1S,2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexan-1-ol (PubChem CID 129365586) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is cis-(1S,2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexan-1-ol
PubChem CID129365586
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Namecis-(1S,2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@H]1N1CCc2sccc2C1
InChIInChI=1S/C13H19NOS/c15-12-4-2-1-3-11(12)14-7-5-13-10(9-14)6-8-16-13/h6,8,11-12,15H,1-5,7,9H2/t11-,12+/m1/s1
InChIKeyALWUJNWBDWOKIF-NEPJUHHUSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexan-1-ol (CID 129365586) is cis-(1S,2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexan-1-ol is O[C@H]1CCCC[C@H]1N1CCc2sccc2C1.
What is the InChIKey of cis-(1S,2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexan-1-ol?
The InChIKey is ALWUJNWBDWOKIF-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H19NOS/c15-12-4-2-1-3-11(12)14-7-5-13-10(9-14)6-8-16-13/h6,8,11-12,15H,1-5,7,9H2/t11-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexan-1-ol?
cis-(1S,2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexan-1-ol has a molecular weight of 237.37 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexan-1-ol is sourced from PubChem (CID 129365586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).