6-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine

C18H24N4O4S — CID 90639842

IUPAC6-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(Oc3ccc(N(C)C)nn3)C2)cc1
InChIInChI=1S/C18H24N4O4S/c1-4-25-14-5-7-16(8-6-14)27(23,24)22-12-11-15(13-22)26-18-10-9-17(19-20-18)21(2)3/h5-10,15H,4,11-13H2,1-3H3
InChIKeyBOIGFGZOJDPVBH-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.78
Rot. Bonds7

About 6-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine

6-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine (PubChem CID 90639842) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 6-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine
PubChem CID90639842
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name6-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(Oc3ccc(N(C)C)nn3)C2)cc1
InChIInChI=1S/C18H24N4O4S/c1-4-25-14-5-7-16(8-6-14)27(23,24)22-12-11-15(13-22)26-18-10-9-17(19-20-18)21(2)3/h5-10,15H,4,11-13H2,1-3H3
InChIKeyBOIGFGZOJDPVBH-UHFFFAOYSA-N
XLogP1.78
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine
CID 90638929
6-[(3S)-1-cyclohexylsulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine
CID 100637555
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90639608
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidine-3-thiol
CID 88954947
4-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylbenzonitrile
CID 100630089
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 66291356
2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558894
5-[1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]oxy-2-methylpyridine
CID 129004923
1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 90639397
3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638978
2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560120
3-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxy-6-methoxypyridazine
CID 100633882

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine?
The IUPAC name of 6-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine (CID 90639842) is 6-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine?
The canonical SMILES for 6-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine is CCOc1ccc(S(=O)(=O)N2CCC(Oc3ccc(N(C)C)nn3)C2)cc1.
What is the InChIKey of 6-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine?
The InChIKey is BOIGFGZOJDPVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-4-25-14-5-7-16(8-6-14)27(23,24)22-12-11-15(13-22)26-18-10-9-17(19-20-18)21(2)3/h5-10,15H,4,11-13H2,1-3H3.
What are the key properties of 6-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine?
6-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine has a molecular weight of 392.48 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridazin-3-amine is sourced from PubChem (CID 90639842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).