1-cyclohexyl-4-methylsulfonylpiperidine

C12H23NO2S — CID 121183047

IUPAC1-cyclohexyl-4-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C12H23NO2S/c1-16(14,15)12-7-9-13(10-8-12)11-5-3-2-4-6-11/h11-12H,2-10H2,1H3
InChIKeyGTGBLAZYGBXURK-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.83
Rot. Bonds2

About 1-cyclohexyl-4-methylsulfonylpiperidine

1-cyclohexyl-4-methylsulfonylpiperidine (PubChem CID 121183047) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-cyclohexyl-4-methylsulfonylpiperidine.

Molecular Properties

Compound Name1-cyclohexyl-4-methylsulfonylpiperidine
PubChem CID121183047
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name1-cyclohexyl-4-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C12H23NO2S/c1-16(14,15)12-7-9-13(10-8-12)11-5-3-2-4-6-11/h11-12H,2-10H2,1H3
InChIKeyGTGBLAZYGBXURK-UHFFFAOYSA-N
XLogP1.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methylsulfonylpiperidine?
The IUPAC name of 1-cyclohexyl-4-methylsulfonylpiperidine (CID 121183047) is 1-cyclohexyl-4-methylsulfonylpiperidine.
What is the SMILES notation for 1-cyclohexyl-4-methylsulfonylpiperidine?
The canonical SMILES for 1-cyclohexyl-4-methylsulfonylpiperidine is CS(=O)(=O)C1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-methylsulfonylpiperidine?
The InChIKey is GTGBLAZYGBXURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-16(14,15)12-7-9-13(10-8-12)11-5-3-2-4-6-11/h11-12H,2-10H2,1H3.
What are the key properties of 1-cyclohexyl-4-methylsulfonylpiperidine?
1-cyclohexyl-4-methylsulfonylpiperidine has a molecular weight of 245.39 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methylsulfonylpiperidine is sourced from PubChem (CID 121183047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).