1-(oxan-3-ylmethylsulfonyl)piperidine

C11H21NO3S — CID 137372174

IUPAC1-(oxan-3-ylmethylsulfonyl)piperidine
SMILESO=S(=O)(CC1CCCOC1)N1CCCCC1
InChIInChI=1S/C11H21NO3S/c13-16(14,12-6-2-1-3-7-12)10-11-5-4-8-15-9-11/h11H,1-10H2
InChIKeyKWUDBNOCCRIOOU-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.23
Rot. Bonds3

About 1-(oxan-3-ylmethylsulfonyl)piperidine

1-(oxan-3-ylmethylsulfonyl)piperidine (PubChem CID 137372174) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(oxan-3-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(oxan-3-ylmethylsulfonyl)piperidine
PubChem CID137372174
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name1-(oxan-3-ylmethylsulfonyl)piperidine
SMILESO=S(=O)(CC1CCCOC1)N1CCCCC1
InChIInChI=1S/C11H21NO3S/c13-16(14,12-6-2-1-3-7-12)10-11-5-4-8-15-9-11/h11H,1-10H2
InChIKeyKWUDBNOCCRIOOU-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-ylmethylsulfonyl)piperidine?
The IUPAC name of 1-(oxan-3-ylmethylsulfonyl)piperidine (CID 137372174) is 1-(oxan-3-ylmethylsulfonyl)piperidine.
What is the SMILES notation for 1-(oxan-3-ylmethylsulfonyl)piperidine?
The canonical SMILES for 1-(oxan-3-ylmethylsulfonyl)piperidine is O=S(=O)(CC1CCCOC1)N1CCCCC1.
What is the InChIKey of 1-(oxan-3-ylmethylsulfonyl)piperidine?
The InChIKey is KWUDBNOCCRIOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c13-16(14,12-6-2-1-3-7-12)10-11-5-4-8-15-9-11/h11H,1-10H2.
What are the key properties of 1-(oxan-3-ylmethylsulfonyl)piperidine?
1-(oxan-3-ylmethylsulfonyl)piperidine has a molecular weight of 247.36 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 137372174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).