3-ethyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine

C11H19N3O2S — CID 47034904

IUPAC3-ethyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
SMILESCCC1CCCN(S(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C11H19N3O2S/c1-3-10-5-4-6-14(8-10)17(15,16)11-7-12-13(2)9-11/h7,9-10H,3-6,8H2,1-2H3
InChIKeyXBOXBCDHATXLCK-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.23
Rot. Bonds3

About 3-ethyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine

3-ethyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 47034904) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-ethyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name3-ethyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
PubChem CID47034904
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3-ethyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
SMILESCCC1CCCN(S(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C11H19N3O2S/c1-3-10-5-4-6-14(8-10)17(15,16)11-7-12-13(2)9-11/h7,9-10H,3-6,8H2,1-2H3
InChIKeyXBOXBCDHATXLCK-UHFFFAOYSA-N
XLogP1.23
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 3-ethyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine (CID 47034904) is 3-ethyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 3-ethyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 3-ethyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine is CCC1CCCN(S(=O)(=O)c2cnn(C)c2)C1.
What is the InChIKey of 3-ethyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is XBOXBCDHATXLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-10-5-4-6-14(8-10)17(15,16)11-7-12-13(2)9-11/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of 3-ethyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
3-ethyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 257.36 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 47034904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).