4-(2-methoxyethylsulfonyl)piperidine

C8H17NO3S — CID 53414747

IUPAC4-(2-methoxyethylsulfonyl)piperidine
SMILESCOCCS(=O)(=O)C1CCNCC1
InChIInChI=1S/C8H17NO3S/c1-12-6-7-13(10,11)8-2-4-9-5-3-8/h8-9H,2-7H2,1H3
InChIKeyYOCGAIJOPPUFRJ-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.20
Rot. Bonds4

About 4-(2-methoxyethylsulfonyl)piperidine

4-(2-methoxyethylsulfonyl)piperidine (PubChem CID 53414747) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-(2-methoxyethylsulfonyl)piperidine
PubChem CID53414747
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name4-(2-methoxyethylsulfonyl)piperidine
SMILESCOCCS(=O)(=O)C1CCNCC1
InChIInChI=1S/C8H17NO3S/c1-12-6-7-13(10,11)8-2-4-9-5-3-8/h8-9H,2-7H2,1H3
InChIKeyYOCGAIJOPPUFRJ-UHFFFAOYSA-N
XLogP-0.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfonyl)piperidine?
The IUPAC name of 4-(2-methoxyethylsulfonyl)piperidine (CID 53414747) is 4-(2-methoxyethylsulfonyl)piperidine.
What is the SMILES notation for 4-(2-methoxyethylsulfonyl)piperidine?
The canonical SMILES for 4-(2-methoxyethylsulfonyl)piperidine is COCCS(=O)(=O)C1CCNCC1.
What is the InChIKey of 4-(2-methoxyethylsulfonyl)piperidine?
The InChIKey is YOCGAIJOPPUFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-12-6-7-13(10,11)8-2-4-9-5-3-8/h8-9H,2-7H2,1H3.
What are the key properties of 4-(2-methoxyethylsulfonyl)piperidine?
4-(2-methoxyethylsulfonyl)piperidine has a molecular weight of 207.29 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfonyl)piperidine is sourced from PubChem (CID 53414747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).