1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine

C11H19N3O2S — CID 7452641

IUPAC1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H19N3O2S/c1-9-11(10(2)13(3)12-9)17(15,16)14-7-5-4-6-8-14/h4-8H2,1-3H3
InChIKeyRLOLQAUHZWTLTN-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.21
Rot. Bonds2

About 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine

1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 7452641) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
PubChem CID7452641
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H19N3O2S/c1-9-11(10(2)13(3)12-9)17(15,16)14-7-5-4-6-8-14/h4-8H2,1-3H3
InChIKeyRLOLQAUHZWTLTN-UHFFFAOYSA-N
XLogP1.21
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine (CID 7452641) is 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine is Cc1nn(C)c(C)c1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is RLOLQAUHZWTLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9-11(10(2)13(3)12-9)17(15,16)14-7-5-4-6-8-14/h4-8H2,1-3H3.
What are the key properties of 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 257.36 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 7452641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).