1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine

C14H23NO2S — CID 123402128

IUPAC1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine
SMILESCCC1C=CC(S(=O)(=O)N2CCCCC2)=CC1C
InChIInChI=1S/C14H23NO2S/c1-3-13-7-8-14(11-12(13)2)18(16,17)15-9-5-4-6-10-15/h7-8,11-13H,3-6,9-10H2,1-2H3
InChIKeyJSSFQXIIQYLLAS-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.92
Rot. Bonds3

About 1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine

1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine (PubChem CID 123402128) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine
PubChem CID123402128
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine
SMILESCCC1C=CC(S(=O)(=O)N2CCCCC2)=CC1C
InChIInChI=1S/C14H23NO2S/c1-3-13-7-8-14(11-12(13)2)18(16,17)15-9-5-4-6-10-15/h7-8,11-13H,3-6,9-10H2,1-2H3
InChIKeyJSSFQXIIQYLLAS-UHFFFAOYSA-N
XLogP2.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylidene-1-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]sulfonylpiperidine
CID 70307102
1-(4-Fluoro-1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine
CID 166062852
2-(2-Methylpropyl)-3,4,4a,8a-tetrahydro-1lambda4,2-benzothiazine 1-oxide
CID 70336666
1-ethylsulfonyl-6-propan-2-yl-3,4,6,7-tetrahydro-2H-quinoline
CID 70820955
4-Cyclohexa-2,5-dien-1-yl-1-propylsulfonylpiperidine
CID 90750988
1-Cyclohexa-1,3-dien-1-ylsulfonyl-4-methylpiperidine
CID 91085982
1-(4-Methylcyclohexa-2,5-dien-1-yl)sulfonylpiperidine
CID 91611076
4-Cyclohexa-2,5-dien-1-yl-1-(2-methylsulfonylethyl)piperidine
CID 123331941
4-(3-Methylsulfonylcyclohexa-2,4-dien-1-yl)piperidine
CID 126494263
4-Methyl-1-(1-methylpiperidin-4-yl)cyclohexa-2,4-diene-1-sulfonic acid
CID 135350364
N,N-dibutyl-1,6-dimethylcyclohexa-2,4-diene-1-sulfonamide
CID 140368080
1-(1-Methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine
CID 141194739

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine?
The IUPAC name of 1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine (CID 123402128) is 1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine?
The canonical SMILES for 1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine is CCC1C=CC(S(=O)(=O)N2CCCCC2)=CC1C.
What is the InChIKey of 1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine?
The InChIKey is JSSFQXIIQYLLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-3-13-7-8-14(11-12(13)2)18(16,17)15-9-5-4-6-10-15/h7-8,11-13H,3-6,9-10H2,1-2H3.
What are the key properties of 1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine?
1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine has a molecular weight of 269.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine is sourced from PubChem (CID 123402128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).