2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid

C15H20N2O4S2 — CID 164637060

IUPAC2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(S(=O)(=O)N[C@H]2C[C@@H]3CC[C@H]2C3)sc2c1CCNC2
InChIInChI=1S/C15H20N2O4S2/c18-14(19)13-10-3-4-16-7-12(10)22-15(13)23(20,21)17-11-6-8-1-2-9(11)5-8/h8-9,11,16-17H,1-7H2,(H,18,19)/t8-,9+,11+/m1/s1
InChIKeyBFQZJRYJMHUOQU-YWVKMMECSA-N
MW356.47 g/mol
LogP1.56
Rot. Bonds4

About 2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid

2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 164637060) has the molecular formula C15H20N2O4S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID164637060
Molecular FormulaC15H20N2O4S2
Molecular Weight356.47 g/mol
Exact Mass356.09
IUPAC Name2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(S(=O)(=O)N[C@H]2C[C@@H]3CC[C@H]2C3)sc2c1CCNC2
InChIInChI=1S/C15H20N2O4S2/c18-14(19)13-10-3-4-16-7-12(10)22-15(13)23(20,21)17-11-6-8-1-2-9(11)5-8/h8-9,11,16-17H,1-7H2,(H,18,19)/t8-,9+,11+/m1/s1
InChIKeyBFQZJRYJMHUOQU-YWVKMMECSA-N
XLogP1.56
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid (CID 164637060) is 2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is O=C(O)c1c(S(=O)(=O)N[C@H]2C[C@@H]3CC[C@H]2C3)sc2c1CCNC2.
What is the InChIKey of 2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is BFQZJRYJMHUOQU-YWVKMMECSA-N. The full InChI is InChI=1S/C15H20N2O4S2/c18-14(19)13-10-3-4-16-7-12(10)22-15(13)23(20,21)17-11-6-8-1-2-9(11)5-8/h8-9,11,16-17H,1-7H2,(H,18,19)/t8-,9+,11+/m1/s1.
What are the key properties of 2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid?
2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 356.47 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 164637060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).