1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidine

C10H16ClN3O2S — CID 3869355

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidine
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H16ClN3O2S/c1-8-9(10(11)13(2)12-8)17(15,16)14-6-4-3-5-7-14/h3-7H2,1-2H3
InChIKeyACEXLOQSSZWPBN-UHFFFAOYSA-N
MW277.78 g/mol
LogP1.56
Rot. Bonds2

About 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidine

1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 3869355) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidine
PubChem CID3869355
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidine
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H16ClN3O2S/c1-8-9(10(11)13(2)12-8)17(15,16)14-6-4-3-5-7-14/h3-7H2,1-2H3
InChIKeyACEXLOQSSZWPBN-UHFFFAOYSA-N
XLogP1.56
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidine (CID 3869355) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidine is Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is ACEXLOQSSZWPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c1-8-9(10(11)13(2)12-8)17(15,16)14-6-4-3-5-7-14/h3-7H2,1-2H3.
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidine?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 277.78 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 3869355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).