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

C15H22N2O3S2 — CID 53156223

IUPAC5-acetyl-N-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCC(=O)N1CCc2sc(S(=O)(=O)NC3CCCCC3)cc2C1
InChIInChI=1S/C15H22N2O3S2/c1-11(18)17-8-7-14-12(10-17)9-15(21-14)22(19,20)16-13-5-3-2-4-6-13/h9,13,16H,2-8,10H2,1H3
InChIKeyWSWRQFFKRHMRTE-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.26
Rot. Bonds3

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

5-acetyl-N-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 53156223) has the molecular formula C15H22N2O3S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 5-acetyl-N-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-acetyl-N-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID53156223
Molecular FormulaC15H22N2O3S2
Molecular Weight342.49 g/mol
Exact Mass342.11
IUPAC Name5-acetyl-N-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCC(=O)N1CCc2sc(S(=O)(=O)NC3CCCCC3)cc2C1
InChIInChI=1S/C15H22N2O3S2/c1-11(18)17-8-7-14-12(10-17)9-15(21-14)22(19,20)16-13-5-3-2-4-6-13/h9,13,16H,2-8,10H2,1H3
InChIKeyWSWRQFFKRHMRTE-UHFFFAOYSA-N
XLogP2.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of 5-acetyl-N-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 53156223) is 5-acetyl-N-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for 5-acetyl-N-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for 5-acetyl-N-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is CC(=O)N1CCc2sc(S(=O)(=O)NC3CCCCC3)cc2C1.
What is the InChIKey of 5-acetyl-N-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is WSWRQFFKRHMRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S2/c1-11(18)17-8-7-14-12(10-17)9-15(21-14)22(19,20)16-13-5-3-2-4-6-13/h9,13,16H,2-8,10H2,1H3.
What are the key properties of 5-acetyl-N-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
5-acetyl-N-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 342.49 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 53156223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).