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

C14H18N4O4S2 — CID 56752759

IUPAC2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
SMILESCN(CCc1cn[nH]c1)S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2
InChIInChI=1S/C14H18N4O4S2/c1-18(5-3-9-6-16-17-7-9)24(21,22)14-12(13(19)20)10-2-4-15-8-11(10)23-14/h6-7,15H,2-5,8H2,1H3,(H,16,17)(H,19,20)
InChIKeyRDCNTMDLBUHHNO-UHFFFAOYSA-N
MW370.46 g/mol
LogP0.68
Rot. Bonds6

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

2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 56752759) has the molecular formula C14H18N4O4S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID56752759
Molecular FormulaC14H18N4O4S2
Molecular Weight370.46 g/mol
Exact Mass370.08
IUPAC Name2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
SMILESCN(CCc1cn[nH]c1)S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2
InChIInChI=1S/C14H18N4O4S2/c1-18(5-3-9-6-16-17-7-9)24(21,22)14-12(13(19)20)10-2-4-15-8-11(10)23-14/h6-7,15H,2-5,8H2,1H3,(H,16,17)(H,19,20)
InChIKeyRDCNTMDLBUHHNO-UHFFFAOYSA-N
XLogP0.68
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (CID 56752759) is 2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is CN(CCc1cn[nH]c1)S(=O)(=O)c1sc2c(c1C(=O)O)CCNC2.
What is the InChIKey of 2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is RDCNTMDLBUHHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S2/c1-18(5-3-9-6-16-17-7-9)24(21,22)14-12(13(19)20)10-2-4-15-8-11(10)23-14/h6-7,15H,2-5,8H2,1H3,(H,16,17)(H,19,20).
What are the key properties of 2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 370.46 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56752759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).