3-[5-(4-cyclohexylpiperazin-1-yl)sulfonylthiophen-2-yl]-1H-pyridazin-6-one

C18H24N4O3S2 — CID 20923027

IUPAC3-[5-(4-cyclohexylpiperazin-1-yl)sulfonylthiophen-2-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)s2)n[nH]1
InChIInChI=1S/C18H24N4O3S2/c23-17-8-6-15(19-20-17)16-7-9-18(26-16)27(24,25)22-12-10-21(11-13-22)14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2,(H,20,23)
InChIKeyJIWRAZJREDITAZ-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.14
Rot. Bonds4

About 3-[5-(4-cyclohexylpiperazin-1-yl)sulfonylthiophen-2-yl]-1H-pyridazin-6-one

3-[5-(4-cyclohexylpiperazin-1-yl)sulfonylthiophen-2-yl]-1H-pyridazin-6-one (PubChem CID 20923027) has the molecular formula C18H24N4O3S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 3-[5-(4-cyclohexylpiperazin-1-yl)sulfonylthiophen-2-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[5-(4-cyclohexylpiperazin-1-yl)sulfonylthiophen-2-yl]-1H-pyridazin-6-one
PubChem CID20923027
Molecular FormulaC18H24N4O3S2
Molecular Weight408.55 g/mol
Exact Mass408.13
IUPAC Name3-[5-(4-cyclohexylpiperazin-1-yl)sulfonylthiophen-2-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)s2)n[nH]1
InChIInChI=1S/C18H24N4O3S2/c23-17-8-6-15(19-20-17)16-7-9-18(26-16)27(24,25)22-12-10-21(11-13-22)14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2,(H,20,23)
InChIKeyJIWRAZJREDITAZ-UHFFFAOYSA-N
XLogP2.14
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-(4-cyclohexylpiperazin-1-yl)sulfonylthiophen-2-yl]-1H-pyridazin-6-one 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 3-[5-(4-cyclohexylpiperazin-1-yl)sulfonylthiophen-2-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[5-(4-cyclohexylpiperazin-1-yl)sulfonylthiophen-2-yl]-1H-pyridazin-6-one (CID 20923027) is 3-[5-(4-cyclohexylpiperazin-1-yl)sulfonylthiophen-2-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[5-(4-cyclohexylpiperazin-1-yl)sulfonylthiophen-2-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[5-(4-cyclohexylpiperazin-1-yl)sulfonylthiophen-2-yl]-1H-pyridazin-6-one is O=c1ccc(-c2ccc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)s2)n[nH]1.
What is the InChIKey of 3-[5-(4-cyclohexylpiperazin-1-yl)sulfonylthiophen-2-yl]-1H-pyridazin-6-one?
The InChIKey is JIWRAZJREDITAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S2/c23-17-8-6-15(19-20-17)16-7-9-18(26-16)27(24,25)22-12-10-21(11-13-22)14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2,(H,20,23).
What are the key properties of 3-[5-(4-cyclohexylpiperazin-1-yl)sulfonylthiophen-2-yl]-1H-pyridazin-6-one?
3-[5-(4-cyclohexylpiperazin-1-yl)sulfonylthiophen-2-yl]-1H-pyridazin-6-one has a molecular weight of 408.55 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-cyclohexylpiperazin-1-yl)sulfonylthiophen-2-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 20923027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).