6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine

C20H29N5O3S — CID 91968767

IUPAC6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine
SMILESCCCCOc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1
InChIInChI=1S/C20H29N5O3S/c1-4-5-14-28-18-6-8-19(9-7-18)29(26,27)25-12-10-24(11-13-25)20-15-17(23(2)3)16-21-22-20/h6-9,15-16H,4-5,10-14H2,1-3H3
InChIKeyMFPRABSJBMMGRI-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.23
Rot. Bonds8

About 6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine

6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine (PubChem CID 91968767) has the molecular formula C20H29N5O3S and a molecular weight of 419.55 g/mol. Its IUPAC name is 6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine.

Molecular Properties

Compound Name6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine
PubChem CID91968767
Molecular FormulaC20H29N5O3S
Molecular Weight419.55 g/mol
Exact Mass419.20
IUPAC Name6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine
SMILESCCCCOc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1
InChIInChI=1S/C20H29N5O3S/c1-4-5-14-28-18-6-8-19(9-7-18)29(26,27)25-12-10-24(11-13-25)20-15-17(23(2)3)16-21-22-20/h6-9,15-16H,4-5,10-14H2,1-3H3
InChIKeyMFPRABSJBMMGRI-UHFFFAOYSA-N
XLogP2.23
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-amine
CID 91968763
4-[6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968904
6-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine
CID 71807510
6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N,N-dimethylpyridazin-4-amine
CID 122342832
3-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine
CID 121060832
4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-fluorophenyl)pyrimidine
CID 121107473
3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060928
4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidine
CID 122345029
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine
CID 42474017
1-benzhydryl-4-(4-butoxyphenyl)sulfonylpiperazine
CID 46100935
1-(4-propoxyphenyl)sulfonylpyrrolidine
CID 60755176
6-[4-[(3,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylpyridazin-4-amine
CID 122342817

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine?
The IUPAC name of 6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine (CID 91968767) is 6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine.
What is the SMILES notation for 6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine?
The canonical SMILES for 6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine is CCCCOc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1.
What is the InChIKey of 6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine?
The InChIKey is MFPRABSJBMMGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3S/c1-4-5-14-28-18-6-8-19(9-7-18)29(26,27)25-12-10-24(11-13-25)20-15-17(23(2)3)16-21-22-20/h6-9,15-16H,4-5,10-14H2,1-3H3.
What are the key properties of 6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine?
6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine has a molecular weight of 419.55 g/mol, XLogP of 2.23, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine is sourced from PubChem (CID 91968767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).