4-methyl-1-(oxan-4-ylmethylsulfonyl)piperidine

C12H23NO3S — CID 59862714

IUPAC4-methyl-1-(oxan-4-ylmethylsulfonyl)piperidine
SMILESCC1CCN(S(=O)(=O)CC2CCOCC2)CC1
InChIInChI=1S/C12H23NO3S/c1-11-2-6-13(7-3-11)17(14,15)10-12-4-8-16-9-5-12/h11-12H,2-10H2,1H3
InChIKeyZCBZNJPPAFDCHZ-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.47
Rot. Bonds3

About 4-methyl-1-(oxan-4-ylmethylsulfonyl)piperidine

4-methyl-1-(oxan-4-ylmethylsulfonyl)piperidine (PubChem CID 59862714) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 4-methyl-1-(oxan-4-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(oxan-4-ylmethylsulfonyl)piperidine
PubChem CID59862714
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name4-methyl-1-(oxan-4-ylmethylsulfonyl)piperidine
SMILESCC1CCN(S(=O)(=O)CC2CCOCC2)CC1
InChIInChI=1S/C12H23NO3S/c1-11-2-6-13(7-3-11)17(14,15)10-12-4-8-16-9-5-12/h11-12H,2-10H2,1H3
InChIKeyZCBZNJPPAFDCHZ-UHFFFAOYSA-N
XLogP1.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-(oxan-4-ylmethylsulfonyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxan-4-ylmethylsulfonyl)piperidine?
The IUPAC name of 4-methyl-1-(oxan-4-ylmethylsulfonyl)piperidine (CID 59862714) is 4-methyl-1-(oxan-4-ylmethylsulfonyl)piperidine.
What is the SMILES notation for 4-methyl-1-(oxan-4-ylmethylsulfonyl)piperidine?
The canonical SMILES for 4-methyl-1-(oxan-4-ylmethylsulfonyl)piperidine is CC1CCN(S(=O)(=O)CC2CCOCC2)CC1.
What is the InChIKey of 4-methyl-1-(oxan-4-ylmethylsulfonyl)piperidine?
The InChIKey is ZCBZNJPPAFDCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-11-2-6-13(7-3-11)17(14,15)10-12-4-8-16-9-5-12/h11-12H,2-10H2,1H3.
What are the key properties of 4-methyl-1-(oxan-4-ylmethylsulfonyl)piperidine?
4-methyl-1-(oxan-4-ylmethylsulfonyl)piperidine has a molecular weight of 261.39 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxan-4-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 59862714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).