2-[4-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol

C18H26N6O3S2 — CID 121053278

IUPAC2-[4-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
SMILESO=S(=O)(c1cccs1)N1CCN(c2ccc(N3CCN(CCO)CC3)nn2)CC1
InChIInChI=1S/C18H26N6O3S2/c25-14-13-21-5-7-22(8-6-21)16-3-4-17(20-19-16)23-9-11-24(12-10-23)29(26,27)18-2-1-15-28-18/h1-4,15,25H,5-14H2
InChIKeyLMVAZHNKHBVQSK-UHFFFAOYSA-N
MW438.58 g/mol
LogP0.16
Rot. Bonds6

About 2-[4-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol

2-[4-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol (PubChem CID 121053278) has the molecular formula C18H26N6O3S2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 2-[4-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
PubChem CID121053278
Molecular FormulaC18H26N6O3S2
Molecular Weight438.58 g/mol
Exact Mass438.15
IUPAC Name2-[4-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
SMILESO=S(=O)(c1cccs1)N1CCN(c2ccc(N3CCN(CCO)CC3)nn2)CC1
InChIInChI=1S/C18H26N6O3S2/c25-14-13-21-5-7-22(8-6-21)16-3-4-17(20-19-16)23-9-11-24(12-10-23)29(26,27)18-2-1-15-28-18/h1-4,15,25H,5-14H2
InChIKeyLMVAZHNKHBVQSK-UHFFFAOYSA-N
XLogP0.16
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-[6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
CID 122336864
2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
CID 121052957
2-[4-[6-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
CID 122336845
2-[4-[6-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
CID 121053269
1-(2-chloroethyl)-4-thiophen-2-ylsulfonyl-1,4-diazepane
CID 63397546
1-[2-(2-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
CID 110601997
(1R,2S,6S,7S)-4-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6551128
(1R,2S,6R,7R)-4-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 18389432
1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 52997928
N,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 9111668
2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
CID 171701163
1-(2-ethylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 113075857

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol (CID 121053278) is 2-[4-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol is O=S(=O)(c1cccs1)N1CCN(c2ccc(N3CCN(CCO)CC3)nn2)CC1.
What is the InChIKey of 2-[4-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol?
The InChIKey is LMVAZHNKHBVQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3S2/c25-14-13-21-5-7-22(8-6-21)16-3-4-17(20-19-16)23-9-11-24(12-10-23)29(26,27)18-2-1-15-28-18/h1-4,15,25H,5-14H2.
What are the key properties of 2-[4-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol?
2-[4-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol has a molecular weight of 438.58 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 121053278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).