6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-pentan-2-ylpyridine-3-sulfonamide

C17H23N3O2S2 — CID 60563558

IUPAC6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-pentan-2-ylpyridine-3-sulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(N2CCc3sccc3C2)nc1
InChIInChI=1S/C17H23N3O2S2/c1-3-4-13(2)19-24(21,22)15-5-6-17(18-11-15)20-9-7-16-14(12-20)8-10-23-16/h5-6,8,10-11,13,19H,3-4,7,9,12H2,1-2H3
InChIKeyREFOZHWWCDMQOS-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.17
Rot. Bonds6

About 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-pentan-2-ylpyridine-3-sulfonamide

6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-pentan-2-ylpyridine-3-sulfonamide (PubChem CID 60563558) has the molecular formula C17H23N3O2S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-pentan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-pentan-2-ylpyridine-3-sulfonamide
PubChem CID60563558
Molecular FormulaC17H23N3O2S2
Molecular Weight365.52 g/mol
Exact Mass365.12
IUPAC Name6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-pentan-2-ylpyridine-3-sulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(N2CCc3sccc3C2)nc1
InChIInChI=1S/C17H23N3O2S2/c1-3-4-13(2)19-24(21,22)15-5-6-17(18-11-15)20-9-7-16-14(12-20)8-10-23-16/h5-6,8,10-11,13,19H,3-4,7,9,12H2,1-2H3
InChIKeyREFOZHWWCDMQOS-UHFFFAOYSA-N
XLogP3.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-pentan-2-ylpyridine-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-pentan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-pentan-2-ylpyridine-3-sulfonamide (CID 60563558) is 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-pentan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-pentan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-pentan-2-ylpyridine-3-sulfonamide is CCCC(C)NS(=O)(=O)c1ccc(N2CCc3sccc3C2)nc1.
What is the InChIKey of 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-pentan-2-ylpyridine-3-sulfonamide?
The InChIKey is REFOZHWWCDMQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S2/c1-3-4-13(2)19-24(21,22)15-5-6-17(18-11-15)20-9-7-16-14(12-20)8-10-23-16/h5-6,8,10-11,13,19H,3-4,7,9,12H2,1-2H3.
What are the key properties of 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-pentan-2-ylpyridine-3-sulfonamide?
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-pentan-2-ylpyridine-3-sulfonamide has a molecular weight of 365.52 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-pentan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 60563558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).