1-(oxan-2-ylmethylsulfonyl)piperidine

C11H21NO3S — CID 127268253

IUPAC1-(oxan-2-ylmethylsulfonyl)piperidine
SMILESO=S(=O)(CC1CCCCO1)N1CCCCC1
InChIInChI=1S/C11H21NO3S/c13-16(14,12-7-3-1-4-8-12)10-11-6-2-5-9-15-11/h11H,1-10H2
InChIKeyNVTVILKETXOGGC-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.37
Rot. Bonds3

About 1-(oxan-2-ylmethylsulfonyl)piperidine

1-(oxan-2-ylmethylsulfonyl)piperidine (PubChem CID 127268253) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(oxan-2-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(oxan-2-ylmethylsulfonyl)piperidine
PubChem CID127268253
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name1-(oxan-2-ylmethylsulfonyl)piperidine
SMILESO=S(=O)(CC1CCCCO1)N1CCCCC1
InChIInChI=1S/C11H21NO3S/c13-16(14,12-7-3-1-4-8-12)10-11-6-2-5-9-15-11/h11H,1-10H2
InChIKeyNVTVILKETXOGGC-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(oxan-2-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 1-(oxan-2-ylmethylsulfonyl)piperidine?
The IUPAC name of 1-(oxan-2-ylmethylsulfonyl)piperidine (CID 127268253) is 1-(oxan-2-ylmethylsulfonyl)piperidine.
What is the SMILES notation for 1-(oxan-2-ylmethylsulfonyl)piperidine?
The canonical SMILES for 1-(oxan-2-ylmethylsulfonyl)piperidine is O=S(=O)(CC1CCCCO1)N1CCCCC1.
What is the InChIKey of 1-(oxan-2-ylmethylsulfonyl)piperidine?
The InChIKey is NVTVILKETXOGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c13-16(14,12-7-3-1-4-8-12)10-11-6-2-5-9-15-11/h11H,1-10H2.
What are the key properties of 1-(oxan-2-ylmethylsulfonyl)piperidine?
1-(oxan-2-ylmethylsulfonyl)piperidine has a molecular weight of 247.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 127268253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).