1-cyclohexa-1,5-dien-1-ylsulfonylpiperidine

C11H17NO2S — CID 173085579

IUPAC1-cyclohexa-1,5-dien-1-ylsulfonylpiperidine
SMILESO=S(=O)(C1=CCCC=C1)N1CCCCC1
InChIInChI=1S/C11H17NO2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h3,7-8H,1-2,4-6,9-10H2
InChIKeyIFCFXLMKRWJHAV-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.04
Rot. Bonds2

About 1-cyclohexa-1,5-dien-1-ylsulfonylpiperidine

1-cyclohexa-1,5-dien-1-ylsulfonylpiperidine (PubChem CID 173085579) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-ylsulfonylpiperidine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-ylsulfonylpiperidine
PubChem CID173085579
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name1-cyclohexa-1,5-dien-1-ylsulfonylpiperidine
SMILESO=S(=O)(C1=CCCC=C1)N1CCCCC1
InChIInChI=1S/C11H17NO2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h3,7-8H,1-2,4-6,9-10H2
InChIKeyIFCFXLMKRWJHAV-UHFFFAOYSA-N
XLogP2.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-ylsulfonylpiperidine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-ylsulfonylpiperidine (CID 173085579) is 1-cyclohexa-1,5-dien-1-ylsulfonylpiperidine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-ylsulfonylpiperidine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-ylsulfonylpiperidine is O=S(=O)(C1=CCCC=C1)N1CCCCC1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-ylsulfonylpiperidine?
The InChIKey is IFCFXLMKRWJHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h3,7-8H,1-2,4-6,9-10H2.
What are the key properties of 1-cyclohexa-1,5-dien-1-ylsulfonylpiperidine?
1-cyclohexa-1,5-dien-1-ylsulfonylpiperidine has a molecular weight of 227.33 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-ylsulfonylpiperidine is sourced from PubChem (CID 173085579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).