4-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidine

C11H21NO3S — CID 127292025

IUPAC4-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidine
SMILESCC1CCN(S(=O)(=O)CC2CCOC2)CC1
InChIInChI=1S/C11H21NO3S/c1-10-2-5-12(6-3-10)16(13,14)9-11-4-7-15-8-11/h10-11H,2-9H2,1H3
InChIKeyHUSFWFSMQPICPT-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.08
Rot. Bonds3

About 4-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidine

4-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidine (PubChem CID 127292025) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 4-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidine
PubChem CID127292025
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name4-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidine
SMILESCC1CCN(S(=O)(=O)CC2CCOC2)CC1
InChIInChI=1S/C11H21NO3S/c1-10-2-5-12(6-3-10)16(13,14)9-11-4-7-15-8-11/h10-11H,2-9H2,1H3
InChIKeyHUSFWFSMQPICPT-UHFFFAOYSA-N
XLogP1.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-(oxolan-3-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-(oxolan-3-ylmethylsulfonyl)piperidine?
The IUPAC name of 4-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidine (CID 127292025) is 4-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidine.
What is the SMILES notation for 4-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidine?
The canonical SMILES for 4-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidine is CC1CCN(S(=O)(=O)CC2CCOC2)CC1.
What is the InChIKey of 4-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidine?
The InChIKey is HUSFWFSMQPICPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-10-2-5-12(6-3-10)16(13,14)9-11-4-7-15-8-11/h10-11H,2-9H2,1H3.
What are the key properties of 4-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidine?
4-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidine has a molecular weight of 247.36 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 127292025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).