2-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

C9H12N2O4S2 — CID 95434579

IUPAC2-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESCS(=O)(=O)N1CCc2c(sc(N)c2C(=O)O)C1
InChIInChI=1S/C9H12N2O4S2/c1-17(14,15)11-3-2-5-6(4-11)16-8(10)7(5)9(12)13/h2-4,10H2,1H3,(H,12,13)
InChIKeyNVYVDPJIKLWCAJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.35
Rot. Bonds2

About 2-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

2-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 95434579) has the molecular formula C9H12N2O4S2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID95434579
Molecular FormulaC9H12N2O4S2
Molecular Weight276.34 g/mol
Exact Mass276.02
IUPAC Name2-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESCS(=O)(=O)N1CCc2c(sc(N)c2C(=O)O)C1
InChIInChI=1S/C9H12N2O4S2/c1-17(14,15)11-3-2-5-6(4-11)16-8(10)7(5)9(12)13/h2-4,10H2,1H3,(H,12,13)
InChIKeyNVYVDPJIKLWCAJ-UHFFFAOYSA-N
XLogP0.35
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (CID 95434579) is 2-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is CS(=O)(=O)N1CCc2c(sc(N)c2C(=O)O)C1.
What is the InChIKey of 2-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is NVYVDPJIKLWCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S2/c1-17(14,15)11-3-2-5-6(4-11)16-8(10)7(5)9(12)13/h2-4,10H2,1H3,(H,12,13).
What are the key properties of 2-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
2-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 95434579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).