3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine

C14H19N5O3S — CID 91627734

IUPAC3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine
SMILESCc1nc(S(=O)(=O)N2CCCC(Oc3cccnn3)C2)cn1C
InChIInChI=1S/C14H19N5O3S/c1-11-16-14(10-18(11)2)23(20,21)19-8-4-5-12(9-19)22-13-6-3-7-15-17-13/h3,6-7,10,12H,4-5,8-9H2,1-2H3
InChIKeyKIMTXKCCMDEQBI-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.75
Rot. Bonds4

About 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine

3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine (PubChem CID 91627734) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine.

Molecular Properties

Compound Name3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine
PubChem CID91627734
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine
SMILESCc1nc(S(=O)(=O)N2CCCC(Oc3cccnn3)C2)cn1C
InChIInChI=1S/C14H19N5O3S/c1-11-16-14(10-18(11)2)23(20,21)19-8-4-5-12(9-19)22-13-6-3-7-15-17-13/h3,6-7,10,12H,4-5,8-9H2,1-2H3
InChIKeyKIMTXKCCMDEQBI-UHFFFAOYSA-N
XLogP0.75
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine
CID 100640808
2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 122258223
3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100625200
3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638570
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-methylpiperidin-3-amine
CID 62536924
3-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100624713
3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638526
3-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638533
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638530
N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]cyclopropanamine
CID 63878417
3-[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100756359
4-(3-bromopyrrolidin-1-yl)sulfonyl-1,2-dimethylimidazole
CID 80667755

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine?
The IUPAC name of 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine (CID 91627734) is 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine.
What is the SMILES notation for 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine?
The canonical SMILES for 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine is Cc1nc(S(=O)(=O)N2CCCC(Oc3cccnn3)C2)cn1C.
What is the InChIKey of 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine?
The InChIKey is KIMTXKCCMDEQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-11-16-14(10-18(11)2)23(20,21)19-8-4-5-12(9-19)22-13-6-3-7-15-17-13/h3,6-7,10,12H,4-5,8-9H2,1-2H3.
What are the key properties of 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine?
3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine has a molecular weight of 337.41 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine is sourced from PubChem (CID 91627734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).