1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine

C10H17N3O2S — CID 17371565

IUPAC1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H17N3O2S/c1-9-10(8-12(2)11-9)16(14,15)13-6-4-3-5-7-13/h8H,3-7H2,1-2H3
InChIKeyBUJJYFMLPFPYQF-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.90
Rot. Bonds2

About 1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine

1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 17371565) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine
PubChem CID17371565
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H17N3O2S/c1-9-10(8-12(2)11-9)16(14,15)13-6-4-3-5-7-13/h8H,3-7H2,1-2H3
InChIKeyBUJJYFMLPFPYQF-UHFFFAOYSA-N
XLogP0.90
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine (CID 17371565) is 1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine is Cc1nn(C)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is BUJJYFMLPFPYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-9-10(8-12(2)11-9)16(14,15)13-6-4-3-5-7-13/h8H,3-7H2,1-2H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine?
1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 243.33 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 17371565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).