4-(3-methylcyclohexyl)sulfonylpiperidine

C12H23NO2S — CID 20735345

IUPAC4-(3-methylcyclohexyl)sulfonylpiperidine
SMILESCC1CCCC(S(=O)(=O)C2CCNCC2)C1
InChIInChI=1S/C12H23NO2S/c1-10-3-2-4-12(9-10)16(14,15)11-5-7-13-8-6-11/h10-13H,2-9H2,1H3
InChIKeyZFPMBRUXSJXRNE-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.73
Rot. Bonds2

About 4-(3-methylcyclohexyl)sulfonylpiperidine

4-(3-methylcyclohexyl)sulfonylpiperidine (PubChem CID 20735345) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)sulfonylpiperidine
PubChem CID20735345
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name4-(3-methylcyclohexyl)sulfonylpiperidine
SMILESCC1CCCC(S(=O)(=O)C2CCNCC2)C1
InChIInChI=1S/C12H23NO2S/c1-10-3-2-4-12(9-10)16(14,15)11-5-7-13-8-6-11/h10-13H,2-9H2,1H3
InChIKeyZFPMBRUXSJXRNE-UHFFFAOYSA-N
XLogP1.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexyl)sulfonylpiperidine?
The IUPAC name of 4-(3-methylcyclohexyl)sulfonylpiperidine (CID 20735345) is 4-(3-methylcyclohexyl)sulfonylpiperidine.
What is the SMILES notation for 4-(3-methylcyclohexyl)sulfonylpiperidine?
The canonical SMILES for 4-(3-methylcyclohexyl)sulfonylpiperidine is CC1CCCC(S(=O)(=O)C2CCNCC2)C1.
What is the InChIKey of 4-(3-methylcyclohexyl)sulfonylpiperidine?
The InChIKey is ZFPMBRUXSJXRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-10-3-2-4-12(9-10)16(14,15)11-5-7-13-8-6-11/h10-13H,2-9H2,1H3.
What are the key properties of 4-(3-methylcyclohexyl)sulfonylpiperidine?
4-(3-methylcyclohexyl)sulfonylpiperidine has a molecular weight of 245.39 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclohexyl)sulfonylpiperidine is sourced from PubChem (CID 20735345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).