2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid

C14H18N4O5S2 — CID 56710811

IUPAC2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
SMILESCOCc1cc(CNS(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)n[nH]1
InChIInChI=1S/C14H18N4O5S2/c1-23-7-9-4-8(17-18-9)5-16-25(21,22)14-12(13(19)20)10-2-3-15-6-11(10)24-14/h4,15-16H,2-3,5-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyPFIGRJORUSMYBS-UHFFFAOYSA-N
MW386.46 g/mol
LogP0.44
Rot. Bonds7

About 2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid

2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 56710811) has the molecular formula C14H18N4O5S2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID56710811
Molecular FormulaC14H18N4O5S2
Molecular Weight386.46 g/mol
Exact Mass386.07
IUPAC Name2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
SMILESCOCc1cc(CNS(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)n[nH]1
InChIInChI=1S/C14H18N4O5S2/c1-23-7-9-4-8(17-18-9)5-16-25(21,22)14-12(13(19)20)10-2-3-15-6-11(10)24-14/h4,15-16H,2-3,5-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyPFIGRJORUSMYBS-UHFFFAOYSA-N
XLogP0.44
TPSA133.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (CID 56710811) is 2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is COCc1cc(CNS(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)n[nH]1.
What is the InChIKey of 2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is PFIGRJORUSMYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O5S2/c1-23-7-9-4-8(17-18-9)5-16-25(21,22)14-12(13(19)20)10-2-3-15-6-11(10)24-14/h4,15-16H,2-3,5-7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 386.46 g/mol, XLogP of 0.44, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56710811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).