1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine

C11H19N3O2S — CID 71688427

IUPAC1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine
SMILESCC(C)n1cc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C11H19N3O2S/c1-10(2)14-9-11(8-12-14)17(15,16)13-6-4-3-5-7-13/h8-10H,3-7H2,1-2H3
InChIKeyOTYYPCIDDRFLPY-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.64
Rot. Bonds3

About 1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine

1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 71688427) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine
PubChem CID71688427
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine
SMILESCC(C)n1cc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C11H19N3O2S/c1-10(2)14-9-11(8-12-14)17(15,16)13-6-4-3-5-7-13/h8-10H,3-7H2,1-2H3
InChIKeyOTYYPCIDDRFLPY-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine (CID 71688427) is 1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine is CC(C)n1cc(S(=O)(=O)N2CCCCC2)cn1.
What is the InChIKey of 1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is OTYYPCIDDRFLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-10(2)14-9-11(8-12-14)17(15,16)13-6-4-3-5-7-13/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine?
1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 257.36 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 71688427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).