4-methoxy-1-(1-methylpyrazol-4-yl)sulfonylpiperidine

C10H17N3O3S — CID 47206268

IUPAC4-methoxy-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
SMILESCOC1CCN(S(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C10H17N3O3S/c1-12-8-10(7-11-12)17(14,15)13-5-3-9(16-2)4-6-13/h7-9H,3-6H2,1-2H3
InChIKeyPMNSSEBMWSQZNQ-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.22
Rot. Bonds3

About 4-methoxy-1-(1-methylpyrazol-4-yl)sulfonylpiperidine

4-methoxy-1-(1-methylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 47206268) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-methoxy-1-(1-methylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-methoxy-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
PubChem CID47206268
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name4-methoxy-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
SMILESCOC1CCN(S(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C10H17N3O3S/c1-12-8-10(7-11-12)17(14,15)13-5-3-9(16-2)4-6-13/h7-9H,3-6H2,1-2H3
InChIKeyPMNSSEBMWSQZNQ-UHFFFAOYSA-N
XLogP0.22
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 4-methoxy-1-(1-methylpyrazol-4-yl)sulfonylpiperidine (CID 47206268) is 4-methoxy-1-(1-methylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 4-methoxy-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 4-methoxy-1-(1-methylpyrazol-4-yl)sulfonylpiperidine is COC1CCN(S(=O)(=O)c2cnn(C)c2)CC1.
What is the InChIKey of 4-methoxy-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is PMNSSEBMWSQZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-12-8-10(7-11-12)17(14,15)13-5-3-9(16-2)4-6-13/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-methoxy-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
4-methoxy-1-(1-methylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 259.33 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(1-methylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 47206268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).