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

C15H20N4O4S2 — CID 56740663

IUPAC2-[(1,5-dimethylpyrazol-4-yl)methyl-methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
SMILESCc1c(CN(C)S(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)cnn1C
InChIInChI=1S/C15H20N4O4S2/c1-9-10(6-17-19(9)3)8-18(2)25(22,23)15-13(14(20)21)11-4-5-16-7-12(11)24-15/h6,16H,4-5,7-8H2,1-3H3,(H,20,21)
InChIKeyCWCQABDIMQPUNK-UHFFFAOYSA-N
MW384.48 g/mol
LogP0.95
Rot. Bonds5

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

2-[(1,5-dimethylpyrazol-4-yl)methyl-methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 56740663) has the molecular formula C15H20N4O4S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrazol-4-yl)methyl-methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID56740663
Molecular FormulaC15H20N4O4S2
Molecular Weight384.48 g/mol
Exact Mass384.09
IUPAC Name2-[(1,5-dimethylpyrazol-4-yl)methyl-methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
SMILESCc1c(CN(C)S(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)cnn1C
InChIInChI=1S/C15H20N4O4S2/c1-9-10(6-17-19(9)3)8-18(2)25(22,23)15-13(14(20)21)11-4-5-16-7-12(11)24-15/h6,16H,4-5,7-8H2,1-3H3,(H,20,21)
InChIKeyCWCQABDIMQPUNK-UHFFFAOYSA-N
XLogP0.95
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (CID 56740663) is 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is Cc1c(CN(C)S(=O)(=O)c2sc3c(c2C(=O)O)CCNC3)cnn1C.
What is the InChIKey of 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is CWCQABDIMQPUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S2/c1-9-10(6-17-19(9)3)8-18(2)25(22,23)15-13(14(20)21)11-4-5-16-7-12(11)24-15/h6,16H,4-5,7-8H2,1-3H3,(H,20,21).
What are the key properties of 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
2-[(1,5-dimethylpyrazol-4-yl)methyl-methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 384.48 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylsulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56740663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).