4-methyl-4-[2-(oxan-2-ylsulfonyl)ethyl]piperidine

C13H25NO3S — CID 90947247

IUPAC4-methyl-4-[2-(oxan-2-ylsulfonyl)ethyl]piperidine
SMILESCC1(CCS(=O)(=O)C2CCCCO2)CCNCC1
InChIInChI=1S/C13H25NO3S/c1-13(5-8-14-9-6-13)7-11-18(15,16)12-4-2-3-10-17-12/h12,14H,2-11H2,1H3
InChIKeyYRHVGYQJNMIRDT-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.71
Rot. Bonds4

About 4-methyl-4-[2-(oxan-2-ylsulfonyl)ethyl]piperidine

4-methyl-4-[2-(oxan-2-ylsulfonyl)ethyl]piperidine (PubChem CID 90947247) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 4-methyl-4-[2-(oxan-2-ylsulfonyl)ethyl]piperidine.

Molecular Properties

Compound Name4-methyl-4-[2-(oxan-2-ylsulfonyl)ethyl]piperidine
PubChem CID90947247
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name4-methyl-4-[2-(oxan-2-ylsulfonyl)ethyl]piperidine
SMILESCC1(CCS(=O)(=O)C2CCCCO2)CCNCC1
InChIInChI=1S/C13H25NO3S/c1-13(5-8-14-9-6-13)7-11-18(15,16)12-4-2-3-10-17-12/h12,14H,2-11H2,1H3
InChIKeyYRHVGYQJNMIRDT-UHFFFAOYSA-N
XLogP1.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[2-(oxan-2-ylsulfonyl)ethyl]piperidine?
The IUPAC name of 4-methyl-4-[2-(oxan-2-ylsulfonyl)ethyl]piperidine (CID 90947247) is 4-methyl-4-[2-(oxan-2-ylsulfonyl)ethyl]piperidine.
What is the SMILES notation for 4-methyl-4-[2-(oxan-2-ylsulfonyl)ethyl]piperidine?
The canonical SMILES for 4-methyl-4-[2-(oxan-2-ylsulfonyl)ethyl]piperidine is CC1(CCS(=O)(=O)C2CCCCO2)CCNCC1.
What is the InChIKey of 4-methyl-4-[2-(oxan-2-ylsulfonyl)ethyl]piperidine?
The InChIKey is YRHVGYQJNMIRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-13(5-8-14-9-6-13)7-11-18(15,16)12-4-2-3-10-17-12/h12,14H,2-11H2,1H3.
What are the key properties of 4-methyl-4-[2-(oxan-2-ylsulfonyl)ethyl]piperidine?
4-methyl-4-[2-(oxan-2-ylsulfonyl)ethyl]piperidine has a molecular weight of 275.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[2-(oxan-2-ylsulfonyl)ethyl]piperidine is sourced from PubChem (CID 90947247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).