1-ethylsulfonyl-4-(methoxymethyl)piperidine

C9H19NO3S — CID 63999264

IUPAC1-ethylsulfonyl-4-(methoxymethyl)piperidine
SMILESCCS(=O)(=O)N1CCC(COC)CC1
InChIInChI=1S/C9H19NO3S/c1-3-14(11,12)10-6-4-9(5-7-10)8-13-2/h9H,3-8H2,1-2H3
InChIKeyKOFJRNAIJADQSF-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.69
Rot. Bonds4

About 1-ethylsulfonyl-4-(methoxymethyl)piperidine

1-ethylsulfonyl-4-(methoxymethyl)piperidine (PubChem CID 63999264) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-(methoxymethyl)piperidine
PubChem CID63999264
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name1-ethylsulfonyl-4-(methoxymethyl)piperidine
SMILESCCS(=O)(=O)N1CCC(COC)CC1
InChIInChI=1S/C9H19NO3S/c1-3-14(11,12)10-6-4-9(5-7-10)8-13-2/h9H,3-8H2,1-2H3
InChIKeyKOFJRNAIJADQSF-UHFFFAOYSA-N
XLogP0.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-(methoxymethyl)piperidine?
The IUPAC name of 1-ethylsulfonyl-4-(methoxymethyl)piperidine (CID 63999264) is 1-ethylsulfonyl-4-(methoxymethyl)piperidine.
What is the SMILES notation for 1-ethylsulfonyl-4-(methoxymethyl)piperidine?
The canonical SMILES for 1-ethylsulfonyl-4-(methoxymethyl)piperidine is CCS(=O)(=O)N1CCC(COC)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-(methoxymethyl)piperidine?
The InChIKey is KOFJRNAIJADQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-14(11,12)10-6-4-9(5-7-10)8-13-2/h9H,3-8H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-4-(methoxymethyl)piperidine?
1-ethylsulfonyl-4-(methoxymethyl)piperidine has a molecular weight of 221.32 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-(methoxymethyl)piperidine is sourced from PubChem (CID 63999264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).