2-(3-methoxypiperidin-1-yl)sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid

C14H20N2O5S2 — CID 56705550

IUPAC2-(3-methoxypiperidin-1-yl)sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
SMILESCOC1CCCN(S(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)C1
InChIInChI=1S/C14H20N2O5S2/c1-21-9-3-2-6-16(8-9)23(19,20)14-12(13(17)18)10-4-5-15-7-11(10)22-14/h9,15H,2-8H2,1H3,(H,17,18)
InChIKeySGIOVPFOPMKCDN-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.89
Rot. Bonds4

About 2-(3-methoxypiperidin-1-yl)sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid

2-(3-methoxypiperidin-1-yl)sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 56705550) has the molecular formula C14H20N2O5S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(3-methoxypiperidin-1-yl)sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxypiperidin-1-yl)sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID56705550
Molecular FormulaC14H20N2O5S2
Molecular Weight360.46 g/mol
Exact Mass360.08
IUPAC Name2-(3-methoxypiperidin-1-yl)sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
SMILESCOC1CCCN(S(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)C1
InChIInChI=1S/C14H20N2O5S2/c1-21-9-3-2-6-16(8-9)23(19,20)14-12(13(17)18)10-4-5-15-7-11(10)22-14/h9,15H,2-8H2,1H3,(H,17,18)
InChIKeySGIOVPFOPMKCDN-UHFFFAOYSA-N
XLogP0.89
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypiperidin-1-yl)sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-methoxypiperidin-1-yl)sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (CID 56705550) is 2-(3-methoxypiperidin-1-yl)sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-methoxypiperidin-1-yl)sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-methoxypiperidin-1-yl)sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is COC1CCCN(S(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)C1.
What is the InChIKey of 2-(3-methoxypiperidin-1-yl)sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is SGIOVPFOPMKCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S2/c1-21-9-3-2-6-16(8-9)23(19,20)14-12(13(17)18)10-4-5-15-7-11(10)22-14/h9,15H,2-8H2,1H3,(H,17,18).
What are the key properties of 2-(3-methoxypiperidin-1-yl)sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
2-(3-methoxypiperidin-1-yl)sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 360.46 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypiperidin-1-yl)sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56705550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).