1-thieno[3,2-c]pyridin-4-ylpyrrolidine-3,4-diol

C11H12N2O2S — CID 106673226

IUPAC1-thieno[3,2-c]pyridin-4-ylpyrrolidine-3,4-diol
SMILESOC1CN(c2nccc3sccc23)CC1O
InChIInChI=1S/C11H12N2O2S/c14-8-5-13(6-9(8)15)11-7-2-4-16-10(7)1-3-12-11/h1-4,8-9,14-15H,5-6H2
InChIKeyRYTGJCTXYJDEDL-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.84
Rot. Bonds1

About 1-thieno[3,2-c]pyridin-4-ylpyrrolidine-3,4-diol

1-thieno[3,2-c]pyridin-4-ylpyrrolidine-3,4-diol (PubChem CID 106673226) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-thieno[3,2-c]pyridin-4-ylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-thieno[3,2-c]pyridin-4-ylpyrrolidine-3,4-diol
PubChem CID106673226
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1-thieno[3,2-c]pyridin-4-ylpyrrolidine-3,4-diol
SMILESOC1CN(c2nccc3sccc23)CC1O
InChIInChI=1S/C11H12N2O2S/c14-8-5-13(6-9(8)15)11-7-2-4-16-10(7)1-3-12-11/h1-4,8-9,14-15H,5-6H2
InChIKeyRYTGJCTXYJDEDL-UHFFFAOYSA-N
XLogP0.84
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(triazol-2-yl)azetidin-1-yl]thieno[3,2-c]pyridine
CID 165435561
(3aR,7aS)-2-thieno[3,2-c]pyridin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 43599525
4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine
CID 80669496
1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 155980991
1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 172899862
4-(3-bromo-4-methylpiperidin-1-yl)thieno[3,2-c]pyridine
CID 102961165
4-(4-bromo-3-methylpiperidin-1-yl)thieno[3,2-c]pyridine
CID 114682808
1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbaldehyde
CID 55101087
(4-thieno[3,2-c]pyridin-4-ylmorpholin-2-yl)methanamine
CID 61338182
N-cyclopropyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 163345555
N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 62585443
3-hydroxy-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxylic acid
CID 166267507

Frequently Asked Questions

What is the IUPAC name of 1-thieno[3,2-c]pyridin-4-ylpyrrolidine-3,4-diol?
The IUPAC name of 1-thieno[3,2-c]pyridin-4-ylpyrrolidine-3,4-diol (CID 106673226) is 1-thieno[3,2-c]pyridin-4-ylpyrrolidine-3,4-diol.
What is the SMILES notation for 1-thieno[3,2-c]pyridin-4-ylpyrrolidine-3,4-diol?
The canonical SMILES for 1-thieno[3,2-c]pyridin-4-ylpyrrolidine-3,4-diol is OC1CN(c2nccc3sccc23)CC1O.
What is the InChIKey of 1-thieno[3,2-c]pyridin-4-ylpyrrolidine-3,4-diol?
The InChIKey is RYTGJCTXYJDEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c14-8-5-13(6-9(8)15)11-7-2-4-16-10(7)1-3-12-11/h1-4,8-9,14-15H,5-6H2.
What are the key properties of 1-thieno[3,2-c]pyridin-4-ylpyrrolidine-3,4-diol?
1-thieno[3,2-c]pyridin-4-ylpyrrolidine-3,4-diol has a molecular weight of 236.30 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[3,2-c]pyridin-4-ylpyrrolidine-3,4-diol is sourced from PubChem (CID 106673226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).