5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

C9H12N2O3S2 — CID 122156925

IUPAC5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1
InChIInChI=1S/C9H12N2O3S2/c1-6(12)11-3-2-8-7(5-11)4-9(15-8)16(10,13)14/h4H,2-3,5H2,1H3,(H2,10,13,14)
InChIKeyMTVSZWFFNFKVMD-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.30
Rot. Bonds1

About 5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 122156925) has the molecular formula C9H12N2O3S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID122156925
Molecular FormulaC9H12N2O3S2
Molecular Weight260.34 g/mol
Exact Mass260.03
IUPAC Name5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1
InChIInChI=1S/C9H12N2O3S2/c1-6(12)11-3-2-8-7(5-11)4-9(15-8)16(10,13)14/h4H,2-3,5H2,1H3,(H2,10,13,14)
InChIKeyMTVSZWFFNFKVMD-UHFFFAOYSA-N
XLogP0.30
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of 5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 122156925) is 5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for 5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for 5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is CC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1.
What is the InChIKey of 5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is MTVSZWFFNFKVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S2/c1-6(12)11-3-2-8-7(5-11)4-9(15-8)16(10,13)14/h4H,2-3,5H2,1H3,(H2,10,13,14).
What are the key properties of 5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 260.34 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 122156925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).