1-(5-fluoro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperidine

C11H18FN3O2S — CID 155881837

IUPAC1-(5-fluoro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperidine
SMILESCc1nn(C)c(F)c1S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C11H18FN3O2S/c1-8-5-4-6-15(7-8)18(16,17)10-9(2)13-14(3)11(10)12/h8H,4-7H2,1-3H3
InChIKeyWRAUJPJRJPEZKY-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.29
Rot. Bonds2

About 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperidine

1-(5-fluoro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperidine (PubChem CID 155881837) has the molecular formula C11H18FN3O2S and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperidine.

Molecular Properties

Compound Name1-(5-fluoro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperidine
PubChem CID155881837
Molecular FormulaC11H18FN3O2S
Molecular Weight275.35 g/mol
Exact Mass275.11
IUPAC Name1-(5-fluoro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperidine
SMILESCc1nn(C)c(F)c1S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C11H18FN3O2S/c1-8-5-4-6-15(7-8)18(16,17)10-9(2)13-14(3)11(10)12/h8H,4-7H2,1-3H3
InChIKeyWRAUJPJRJPEZKY-UHFFFAOYSA-N
XLogP1.29
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperidine?
The IUPAC name of 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperidine (CID 155881837) is 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperidine.
What is the SMILES notation for 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperidine?
The canonical SMILES for 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperidine is Cc1nn(C)c(F)c1S(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperidine?
The InChIKey is WRAUJPJRJPEZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O2S/c1-8-5-4-6-15(7-8)18(16,17)10-9(2)13-14(3)11(10)12/h8H,4-7H2,1-3H3.
What are the key properties of 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperidine?
1-(5-fluoro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperidine has a molecular weight of 275.35 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpiperidine is sourced from PubChem (CID 155881837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).