1-(oxan-4-ylsulfonyl)piperidine

C10H19NO3S — CID 63081544

IUPAC1-(oxan-4-ylsulfonyl)piperidine
SMILESO=S(=O)(C1CCOCC1)N1CCCCC1
InChIInChI=1S/C10H19NO3S/c12-15(13,10-4-8-14-9-5-10)11-6-2-1-3-7-11/h10H,1-9H2
InChIKeyAPYVQIZZKPODOQ-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.98
Rot. Bonds2

About 1-(oxan-4-ylsulfonyl)piperidine

1-(oxan-4-ylsulfonyl)piperidine (PubChem CID 63081544) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-(oxan-4-ylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(oxan-4-ylsulfonyl)piperidine
PubChem CID63081544
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name1-(oxan-4-ylsulfonyl)piperidine
SMILESO=S(=O)(C1CCOCC1)N1CCCCC1
InChIInChI=1S/C10H19NO3S/c12-15(13,10-4-8-14-9-5-10)11-6-2-1-3-7-11/h10H,1-9H2
InChIKeyAPYVQIZZKPODOQ-UHFFFAOYSA-N
XLogP0.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(oxan-4-ylsulfonyl)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-4-ylsulfonyl)piperidine?
The IUPAC name of 1-(oxan-4-ylsulfonyl)piperidine (CID 63081544) is 1-(oxan-4-ylsulfonyl)piperidine.
What is the SMILES notation for 1-(oxan-4-ylsulfonyl)piperidine?
The canonical SMILES for 1-(oxan-4-ylsulfonyl)piperidine is O=S(=O)(C1CCOCC1)N1CCCCC1.
What is the InChIKey of 1-(oxan-4-ylsulfonyl)piperidine?
The InChIKey is APYVQIZZKPODOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c12-15(13,10-4-8-14-9-5-10)11-6-2-1-3-7-11/h10H,1-9H2.
What are the key properties of 1-(oxan-4-ylsulfonyl)piperidine?
1-(oxan-4-ylsulfonyl)piperidine has a molecular weight of 233.33 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylsulfonyl)piperidine is sourced from PubChem (CID 63081544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).