2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid

C15H18N4O4S2 — CID 56703537

IUPAC2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(S(=O)(=O)NCc2n[nH]c3c2CCC3)sc2c1CCNC2
InChIInChI=1S/C15H18N4O4S2/c20-14(21)13-9-4-5-16-7-12(9)24-15(13)25(22,23)17-6-11-8-2-1-3-10(8)18-19-11/h16-17H,1-7H2,(H,18,19)(H,20,21)
InChIKeyYRYPDLITHRXOEW-UHFFFAOYSA-N
MW382.47 g/mol
LogP0.78
Rot. Bonds5

About 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid

2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 56703537) has the molecular formula C15H18N4O4S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID56703537
Molecular FormulaC15H18N4O4S2
Molecular Weight382.47 g/mol
Exact Mass382.08
IUPAC Name2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(S(=O)(=O)NCc2n[nH]c3c2CCC3)sc2c1CCNC2
InChIInChI=1S/C15H18N4O4S2/c20-14(21)13-9-4-5-16-7-12(9)24-15(13)25(22,23)17-6-11-8-2-1-3-10(8)18-19-11/h16-17H,1-7H2,(H,18,19)(H,20,21)
InChIKeyYRYPDLITHRXOEW-UHFFFAOYSA-N
XLogP0.78
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (CID 56703537) is 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is O=C(O)c1c(S(=O)(=O)NCc2n[nH]c3c2CCC3)sc2c1CCNC2.
What is the InChIKey of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is YRYPDLITHRXOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S2/c20-14(21)13-9-4-5-16-7-12(9)24-15(13)25(22,23)17-6-11-8-2-1-3-10(8)18-19-11/h16-17H,1-7H2,(H,18,19)(H,20,21).
What are the key properties of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 382.47 g/mol, XLogP of 0.78, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56703537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).