1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexane-1-carboxylic acid

C15H21NO2S — CID 62272477

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(CN2CCc3sccc3C2)CCCCC1
InChIInChI=1S/C15H21NO2S/c17-14(18)15(6-2-1-3-7-15)11-16-8-4-13-12(10-16)5-9-19-13/h5,9H,1-4,6-8,10-11H2,(H,17,18)
InChIKeyQXLLHPVAUYSDIG-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.14
Rot. Bonds3

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexane-1-carboxylic acid

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexane-1-carboxylic acid (PubChem CID 62272477) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexane-1-carboxylic acid
PubChem CID62272477
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(CN2CCc3sccc3C2)CCCCC1
InChIInChI=1S/C15H21NO2S/c17-14(18)15(6-2-1-3-7-15)11-16-8-4-13-12(10-16)5-9-19-13/h5,9H,1-4,6-8,10-11H2,(H,17,18)
InChIKeyQXLLHPVAUYSDIG-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexane-1-carboxylic acid (CID 62272477) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexane-1-carboxylic acid is O=C(O)C1(CN2CCc3sccc3C2)CCCCC1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexane-1-carboxylic acid?
The InChIKey is QXLLHPVAUYSDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c17-14(18)15(6-2-1-3-7-15)11-16-8-4-13-12(10-16)5-9-19-13/h5,9H,1-4,6-8,10-11H2,(H,17,18).
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexane-1-carboxylic acid?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexane-1-carboxylic acid has a molecular weight of 279.40 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62272477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).