5-(3-imidazol-1-ylcyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

C15H18N4O3S2 — CID 166278540

IUPAC5-(3-imidazol-1-ylcyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC(n3ccnc3)C1)C2
InChIInChI=1S/C15H18N4O3S2/c16-24(21,22)14-7-11-8-18(3-1-13(11)23-14)15(20)10-5-12(6-10)19-4-2-17-9-19/h2,4,7,9-10,12H,1,3,5-6,8H2,(H2,16,21,22)
InChIKeyWRUOTFWCGOABOF-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.13
Rot. Bonds3

About 5-(3-imidazol-1-ylcyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

5-(3-imidazol-1-ylcyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 166278540) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 5-(3-imidazol-1-ylcyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(3-imidazol-1-ylcyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID166278540
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC Name5-(3-imidazol-1-ylcyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC(n3ccnc3)C1)C2
InChIInChI=1S/C15H18N4O3S2/c16-24(21,22)14-7-11-8-18(3-1-13(11)23-14)15(20)10-5-12(6-10)19-4-2-17-9-19/h2,4,7,9-10,12H,1,3,5-6,8H2,(H2,16,21,22)
InChIKeyWRUOTFWCGOABOF-UHFFFAOYSA-N
XLogP1.13
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3-imidazol-1-ylcyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-imidazol-1-ylcyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of 5-(3-imidazol-1-ylcyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 166278540) is 5-(3-imidazol-1-ylcyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for 5-(3-imidazol-1-ylcyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for 5-(3-imidazol-1-ylcyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is NS(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC(n3ccnc3)C1)C2.
What is the InChIKey of 5-(3-imidazol-1-ylcyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is WRUOTFWCGOABOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c16-24(21,22)14-7-11-8-18(3-1-13(11)23-14)15(20)10-5-12(6-10)19-4-2-17-9-19/h2,4,7,9-10,12H,1,3,5-6,8H2,(H2,16,21,22).
What are the key properties of 5-(3-imidazol-1-ylcyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
5-(3-imidazol-1-ylcyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 366.47 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-imidazol-1-ylcyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 166278540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).